2-bromo-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
2-bromo-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G566-0381 |
| Compound Name: | 2-bromo-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 478.34 |
| Molecular Formula: | C17 H12 Br N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(c4ccccc4[Br])=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8689 |
| logD: | 2.5781 |
| logSw: | -3.6534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.428 |
| InChI Key: | NYKWXZIHZPVJHJ-UHFFFAOYSA-N |