5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2304 |
| Compound Name: | 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0696 |
| logD: | 3.0464 |
| logSw: | -3.1522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.899 |
| InChI Key: | FZSBKVBPQGYBLD-UHFFFAOYSA-N |