AC1O0TY0
(E)-2-(4-chlorophenyl)sulfonyl-3-[2-(2,3-dimethylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(4-CHLOROBENZENESULFONYL)-3-[2-(2,3-DIMETHYLPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]PROP-2-ENENITRILE|(2E)-2-[(4-chlorophenyl)sulfonyl]-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile|(E)-2-((4-chlorophenyl)sulfonyl)-3-(2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile|(E)-2-(4-chlorophenyl)sulfonyl-3-[2-(2,3-dimethylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
| Molecular Formula | C25H18ClN3O4S |
|---|---|
| Molecular Weight | 491.07065 g/mol |
| LogP | 5.09542 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.07065 |
| Monoisotopic Mass | 491.07065 |
| Heavy Atoms | 34 |
| Complexity | 1650.8811 |
Chemical Identifiers
| CAS Number | 620109-40-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
AC1O0TY0 (CAS 620109-40-2), with molecular formula C25H18ClN3O4S and molecular weight 491.07065 g/mol. IUPAC: (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(2,3-dimethylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.