3,4-difluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
3,4-difluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
3,4-difluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0419 |
| Compound Name: | 3,4-difluoro-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C21 H15 F2 N3 O3 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1ccccc1NS(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3845 |
| logD: | 3.3054 |
| logSw: | -3.826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.905 |
| InChI Key: | NUEKCFGBFWGPOR-UHFFFAOYSA-N |