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102587-95-1 | Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-2-methoxy-
CAS No: 102587-95-1 Catalog No: AG0007U4 MDL No:
Product Description
Catalog Number:
AG0007U4
Chemical Name:
Benzamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-2-methoxy-
CAS Number:
102587-95-1
Molecular Formula:
C18H23ClN4O4
Molecular Weight:
394.8526
IUPAC Name:
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-4-chloro-2-methoxybenzamide
InChI:
InChI=1S/C18H23ClN4O4/c1-4-8-22-15(20)14(17(25)23(9-5-2)18(22)26)21-16(24)12-7-6-11(19)10-13(12)27-3/h6-7,10H,4-5,8-9,20H2,1-3H3,(H,21,24)
InChI Key:
LNQNULFODYRCKF-UHFFFAOYSA-N
SMILES:
CCCn1c(N)c(NC(=O)c2ccc(cc2OC)Cl)c(=O)n(c1=O)CCC
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.141g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.856g/mol
Monoisotopic Mass:
394.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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