N-(4-methylphenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0885 |
| Compound Name: | N-(4-methylphenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C21 H22 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(SCC(N2CCN(CC2)c2ccccn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4623 |
| logD: | 3.4534 |
| logSw: | -3.6381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.087 |
| InChI Key: | CAJUYBPNJYNQMA-UHFFFAOYSA-N |