2-bromo-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
2-bromo-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G755-0477 |
| Compound Name: | 2-bromo-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 488.38 |
| Molecular Formula: | C19 H14 Br N5 O2 S2 |
| Smiles: | CC1C=CC2=NC(CSc3nnc(NC(c4ccccc4[Br])=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6595 |
| logD: | 3.3687 |
| logSw: | -4.0113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.469 |
| InChI Key: | XBPHRXZFISMLKS-UHFFFAOYSA-N |