1-(2-methylbenzene-1-sulfonyl)-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
Chemical Structure Depiction of
1-(2-methylbenzene-1-sulfonyl)-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
1-(2-methylbenzene-1-sulfonyl)-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
Compound characteristics
| Compound ID: | S517-0686 |
| Compound Name: | 1-(2-methylbenzene-1-sulfonyl)-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine |
| Molecular Weight: | 362.49 |
| Molecular Formula: | C18 H26 N4 O2 S |
| Smiles: | CC(C)n1cnnc1CC1CCN(CC1)S(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7505 |
| logD: | 2.7459 |
| logSw: | -3.0555 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.073 |
| InChI Key: | LSPGNOCHBVSIIP-UHFFFAOYSA-N |