2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V016-7062 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6015 |
| logD: | 3.6015 |
| logSw: | -3.8283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.699 |
| InChI Key: | WCWSKJQOXCUBRZ-UHFFFAOYSA-N |