1-(3,4-dimethylbenzene-1-sulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
Chemical Structure Depiction of
1-(3,4-dimethylbenzene-1-sulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
1-(3,4-dimethylbenzene-1-sulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
Compound characteristics
| Compound ID: | P939-4302 |
| Compound Name: | 1-(3,4-dimethylbenzene-1-sulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)S(N1CCC(CC1)n1cnnc1c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.185 |
| logD: | 4.185 |
| logSw: | -4.1851 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.134 |
| InChI Key: | XFOBGXKIPALHDW-UHFFFAOYSA-N |