1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
Chemical Structure Depiction of
1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
Compound characteristics
Compound ID: | P939-3356 |
Compound Name: | 1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine |
Molecular Weight: | 398.91 |
Molecular Formula: | C17 H23 Cl N4 O3 S |
Smiles: | Cc1ccc(cc1[Cl])S(N1CCC(CC1)n1cnnc1CCOC)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.547 |
logD: | 2.547 |
logSw: | -3.0992 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 65.724 |
InChI Key: | YSXSIXGUJCIJMV-UHFFFAOYSA-N |