2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0074 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CC1CCCCN1C(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2375 |
| logD: | 4.2375 |
| logSw: | -4.1354 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.934 |
| InChI Key: | APYZQVJCCJMCHX-KRWDZBQOSA-N |