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