N-(2-methylphenyl)-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0873 |
| Compound Name: | N-(2-methylphenyl)-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C23 H26 N6 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(N2CCN(CC2)c2ccccn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8311 |
| logD: | 2.8222 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.524 |
| InChI Key: | IBKFZPYCRAUDTC-UHFFFAOYSA-N |