1-(2,5-dimethylbenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
Chemical Structure Depiction of
1-(2,5-dimethylbenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
1-(2,5-dimethylbenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
Compound characteristics
| Compound ID: | P939-5498 |
| Compound Name: | 1-(2,5-dimethylbenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine |
| Molecular Weight: | 362.49 |
| Molecular Formula: | C18 H26 N4 O2 S |
| Smiles: | CC(C)c1nncn1C1CCN(CC1)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1855 |
| logD: | 3.1853 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.406 |
| InChI Key: | JAENYPXQCGJLHB-UHFFFAOYSA-N |