N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide - CAS 730950-29-5

Name: N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
Brand: BOC Sciences
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Catalog:	BB034761
Product Name:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
CAS:	730950-29-5
Synonyms:	N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-chloro-N-(3-methoxypropyl)acetamide; N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide

Technical Data

Computed Properties

IUPAC Name:	N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
Description:	N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide (CAS# 730950-29-5 ) is a useful research chemical.
Molecular Weight:	380.829
Molecular Formula:	C17H21ClN4O4
Canonical SMILES:	COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI:	InChI=1S/C17H21ClN4O4/c1-26-9-5-8-21(13(23)10-18)14-15(19)22(17(25)20-16(14)24)11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,19H2,1H3,(H,20,24,25)
InChI Key:	LLJXFNYPLBSFNK-UHFFFAOYSA-N

Complexity:	575
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	380.1251329
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	380.1251329
Rotatable Bond Count:	8
Topological Polar Surface Area:	105
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6

N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide - CAS 730950-29-5

Technical Data

Computed Properties

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