Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate - CAS 1579251-94-7

Name: Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate
Brand: BOC Sciences
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Catalog:	BB011365
Product Name:	Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate
CAS:	1579251-94-7
Synonyms:	4-(2-chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester; methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

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Computed Properties

IUPAC Name:	methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Description:	Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate (CAS# 1579251-94-7 ) is a useful research chemical.
Molecular Weight:	365.81
Molecular Formula:	C16H13ClFN3O2S
Canonical SMILES:	CC1=C(C(N=C(N1)C2=NC=CS2)C3=C(C=C(C=C3)F)Cl)C(=O)OC
InChI:	InChI=1S/C16H13ClFN3O2S/c1-8-12(16(22)23-2)13(10-4-3-9(18)7-11(10)17)21-14(20-8)15-19-5-6-24-15/h3-7,13H,1-2H3,(H,20,21)
InChI Key:	QMZPEPRAOFNSQH-UHFFFAOYSA-N
LogP:	3.23810

Publication Number	Title	Priority Date
WO-2021121363-A1	Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections	20191220
WO-2020255016-A1	Combination of hepatitis b virus (hbv) vaccines and dihydropyrimidine derivatives as capsid assembly modulators	20190618
WO-2020125730-A1	Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections	20181220
TW-202035412-A	Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections	20181220
CN-113195499-A	Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection	20181220

Complexity:	572
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	365.0401037
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	365.0401037
Rotatable Bond Count:	4
Topological Polar Surface Area:	91.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3

Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate - CAS 1579251-94-7

Technical Data

Patents

Computed Properties

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