4-chloro-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-chloro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
4-chloro-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: | G072-1684 |
| Compound Name: | 4-chloro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C20 H16 Cl N3 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NS(c3ccc(cc3)[Cl])(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2881 |
| logD: | 3.2089 |
| logSw: | -3.7453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.382 |
| InChI Key: | NCZNAUOHLCADTC-UHFFFAOYSA-N |