3-chloro-4-methoxy-N-(4-{[(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-methoxy-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
3-chloro-4-methoxy-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G566-0958 |
| Compound Name: | 3-chloro-4-methoxy-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C21 H18 Cl N3 O5 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NS(c3ccc(c(c3)[Cl])OC)(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1357 |
| logD: | 3.132 |
| logSw: | -3.5257 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.71 |
| InChI Key: | VCANREWHNRDOPF-UHFFFAOYSA-N |