3-bromo-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
3-bromo-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G566-0856 |
| Compound Name: | 3-bromo-N-(4-{[(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(CSc3ccc(cc3)NC(c3cccc(c3)[Br])=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8592 |
| logD: | 3.858 |
| logSw: | -4.0348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.522 |
| InChI Key: | WJYQKYCIDRETMN-UHFFFAOYSA-N |