1-(4-methylbenzene-1-sulfonyl)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)piperidine-4-carboxamide
1-(4-methylbenzene-1-sulfonyl)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G717-1957 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)piperidine-4-carboxamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | Cc1ccc(Cc2nc(CCNC(C3CCN(CC3)S(c3ccc(C)cc3)(=O)=O)=O)n[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5432 |
| logD: | 3.5417 |
| logSw: | -3.5675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.97 |
| InChI Key: | UCTZEQLKHGOOOV-UHFFFAOYSA-N |