5-{1-[3-(3-methoxyphenyl)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-methoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2395 |
| Compound Name: | 5-{1-[3-(3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(/C=C\c2cccc(c2)OC)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9915 |
| logD: | 3.9682 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.8 |
| InChI Key: | GUBJDHWQBPKMDI-UHFFFAOYSA-N |