1-(4-methylbenzene-1-sulfonyl)-N-{2-[5-(4-methylphenyl)-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)-1H-1,2,4-triazol-3-yl]ethyl}piperidine-4-carboxamide
1-(4-methylbenzene-1-sulfonyl)-N-{2-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]ethyl}piperidine-4-carboxamide
Compound characteristics
Compound ID: | G717-1284 |
Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-N-{2-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]ethyl}piperidine-4-carboxamide |
Molecular Weight: | 467.59 |
Molecular Formula: | C24 H29 N5 O3 S |
Smiles: | Cc1ccc(cc1)c1nc(CCNC(C2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)=O)n[nH]1 |
Stereo: | ACHIRAL |
logP: | 3.4468 |
logD: | 3.4348 |
logSw: | -3.5602 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.98 |
InChI Key: | KGGPIQPOCUVSPI-UHFFFAOYSA-N |