3-chloro-4-fluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
3-chloro-4-fluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0441 |
| Compound Name: | 3-chloro-4-fluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C21 H15 Cl F N3 O3 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1ccccc1NS(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5174 |
| logD: | 3.4383 |
| logSw: | -3.8458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.905 |
| InChI Key: | NGNRGPPOMMFVMD-UHFFFAOYSA-N |