2-chloro-N-(5-{[(7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-(5-{[(7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
2-chloro-N-(5-{[(7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G647-3202 |
| Compound Name: | 2-chloro-N-(5-{[(7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 419.87 |
| Molecular Formula: | C15 H10 Cl N7 O2 S2 |
| Smiles: | C(C1=CC(N2C(NC=N2)=N1)=O)Sc1nnc(NC(c2ccccc2[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.088 |
| logD: | 2.088 |
| logSw: | -3.3063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.805 |
| InChI Key: | XWKMDMQPKINARZ-UHFFFAOYSA-N |