N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G566-0823 |
| Compound Name: | N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccccc1SCC1=CC(N2C(C=C(C)O2)=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0316 |
| logD: | 3.9997 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.382 |
| InChI Key: | OGTDYHZXDQJTRX-UHFFFAOYSA-N |