2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V009-1007 |
| Compound Name: | 2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C24 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6459 |
| logD: | 4.6459 |
| logSw: | -4.3176 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.026 |
| InChI Key: | QAEZJYSKQQCGKJ-UHFFFAOYSA-N |