4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G566-0246 |
| Compound Name: | 4-bromo-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C21 H16 Br N3 O3 S |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NC(c3ccc(cc3)[Br])=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6086 |
| logD: | 3.6075 |
| logSw: | -3.7993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.824 |
| InChI Key: | KCENFKUCBGDZPI-UHFFFAOYSA-N |