1-(4-chlorobenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
Chemical Structure Depiction of
1-(4-chlorobenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
1-(4-chlorobenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
Compound characteristics
Compound ID: | P939-5460 |
Compound Name: | 1-(4-chlorobenzene-1-sulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine |
Molecular Weight: | 368.88 |
Molecular Formula: | C16 H21 Cl N4 O2 S |
Smiles: | CC(C)c1nncn1C1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0202 |
logD: | 3.0199 |
logSw: | -3.4581 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 56.406 |
InChI Key: | BHRDVFQSMHZGJK-UHFFFAOYSA-N |