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102587-97-3 | Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-3-chloro-4-hydroxy-
CAS No: 102587-97-3 Catalog No: AG0007VB MDL No:
Product Description
Catalog Number:
AG0007VB
Chemical Name:
Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-3-chloro-4-hydroxy-
CAS Number:
102587-97-3
Molecular Formula:
C17H21ClN4O4
Molecular Weight:
380.8260
IUPAC Name:
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-chloro-4-hydroxybenzamide
InChI:
InChI=1S/C17H21ClN4O4/c1-3-7-21-14(19)13(16(25)22(8-4-2)17(21)26)20-15(24)10-5-6-12(23)11(18)9-10/h5-6,9,23H,3-4,7-8,19H2,1-2H3,(H,20,24)
InChI Key:
MBQHOQBJWLKCQB-UHFFFAOYSA-N
SMILES:
CCCn1c(N)c(NC(=O)c2ccc(c(c2)Cl)O)c(=O)n(c1=O)CCC
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.829g/mol
Monoisotopic Mass:
380.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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