1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
Chemical Structure Depiction of
1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
Compound characteristics
| Compound ID: | P939-4994 |
| Compound Name: | 1-(3-chloro-4-methylbenzene-1-sulfonyl)-4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine |
| Molecular Weight: | 384.88 |
| Molecular Formula: | C16 H21 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])S(N1CCC(CC1)n1cnnc1COC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3053 |
| logD: | 2.3053 |
| logSw: | -3.0087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.806 |
| InChI Key: | XMKJMCIUUUVTCX-UHFFFAOYSA-N |