N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(2-methylpropyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(2-methylpropyl)benzene-1-sulfonamide
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(2-methylpropyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0279 |
| Compound Name: | N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-(2-methylpropyl)benzene-1-sulfonamide |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccccc1SCC1=CC(N2C=C(C)C=CC2=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1644 |
| logD: | 5.1326 |
| logSw: | -4.9258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.424 |
| InChI Key: | HNIONNIFOWNMAN-UHFFFAOYSA-N |