3,4-dimethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
3,4-dimethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
3,4-dimethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0437 |
| Compound Name: | 3,4-dimethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)S(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0464 |
| logD: | 4.0146 |
| logSw: | -4.0911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.905 |
| InChI Key: | ZIWDCZRFUANPEL-UHFFFAOYSA-N |