4-methoxy-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
4-methoxy-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
4-methoxy-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: | G647-3235 |
| Compound Name: | 4-methoxy-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: | 415.45 |
| Molecular Formula: | C16 H13 N7 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1nnc(SCC2=CC(N3C(NC=N3)=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6152 |
| logD: | 1.6152 |
| logSw: | -2.4012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.349 |
| InChI Key: | AMTCVHWOOBNKQT-UHFFFAOYSA-N |