N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E958-0426 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C26 H35 N7 O S |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(C2CCCN(C2)c2nnc(n3cccc3)s2)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0617 |
| logD: | 3.5716 |
| logSw: | -3.9941 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.941 |
| InChI Key: | ZYWBARQQATUIKL-QFIPXVFZSA-N |