N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0385 |
| Compound Name: | N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C25 H25 N3 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccccc1SCC1=CC(N2C=CC=C(C)C2=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 4.7882 |
| logSw: | -4.4975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.926 |
| InChI Key: | LJCIMMCGTGZCBK-UHFFFAOYSA-N |