4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-(3-methylbenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-(3-methylbenzene-1-sulfonyl)piperidine
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-(3-methylbenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | P939-5018 |
| Compound Name: | 4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-(3-methylbenzene-1-sulfonyl)piperidine |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCC(CC1)n1cnnc1COC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5741 |
| logD: | 1.574 |
| logSw: | -2.2919 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.806 |
| InChI Key: | KGBURSBHNYXMMT-UHFFFAOYSA-N |