5-{1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2435 |
| Compound Name: | 5-{1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(/C=C/c2ccc(c(c2)OC)OC)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6339 |
| logD: | 3.6106 |
| logSw: | -3.7328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.518 |
| InChI Key: | KPYWVTGSXIXIKU-YRNVUSSQSA-N |