2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | G731-0630 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 382.91 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Salt: | HCl |
| Smiles: | CC1CCCCN1C(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4322 |
| logD: | 1.2405 |
| logSw: | -2.6058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.695 |
| InChI Key: | FGSISHKOYYVMDH-LBPRGKRZSA-N |