4-methyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-methyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G072-1685 |
| Compound Name: | 4-methyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C21 H19 N3 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NS(c3ccc(C)cc3)(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1168 |
| logD: | 3.0849 |
| logSw: | -3.4164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.382 |
| InChI Key: | CSMGODQRGPRTJJ-UHFFFAOYSA-N |