3-chloro-4-fluoro-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
3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
3-chloro-4-fluoro-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: | G566-0828 |
| Compound Name: | 3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 479.93 |
| Molecular Formula: | C20 H15 Cl F N3 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NS(c3ccc(c(c3)[Cl])F)(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0931 |
| logD: | 3.014 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.382 |
| InChI Key: | ANGBRGJLLLBSNO-UHFFFAOYSA-N |