AC1O3C11

(E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile

Also Known As: (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile|(E)-3-(2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-tosylacrylonitrile|(E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile

Molecular Formula	C25H26N4O3S
Molecular Weight	462.17258 g/mol
LogP	4.03012
Topological Polar Surface Area	95.54 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	462.17258
Monoisotopic Mass	462.17258
Heavy Atoms	33
Complexity	1423.4839

Chemical Identifiers

CAS Number	896804-52-7
SMILES	CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCCCCC4)/C#N