3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
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)benzamide
3-chloro-4-fluoro-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G566-0259 |
| 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)benzamide |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C21 H15 Cl F N3 O3 S |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NC(c3ccc(c(c3)[Cl])F)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3146 |
| logD: | 3.3057 |
| logSw: | -3.8282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.824 |
| InChI Key: | OJKFHZFJGIEPKY-UHFFFAOYSA-N |