3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-(4-methoxybenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-(4-methoxybenzene-1-sulfonyl)piperidine
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-(4-methoxybenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | T501-0557 |
| Compound Name: | 3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-(4-methoxybenzene-1-sulfonyl)piperidine |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | COc1ccc(cc1)S(N1CCCC(Cc2nncn2CC2CC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3746 |
| logD: | 2.3746 |
| logSw: | -2.6171 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.011 |
| InChI Key: | XTMKORBYFVDWOM-MRXNPFEDSA-N |