4-chloro-N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-chloro-N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0294 |
| Compound Name: | 4-chloro-N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C22 H18 Cl N3 O3 S2 |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NS(c3ccc(cc3)[Cl])(=O)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0787 |
| logD: | 3.9995 |
| logSw: | -4.4803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.424 |
| InChI Key: | AYBVWZYWZYLPJQ-UHFFFAOYSA-N |