5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-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)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0058 |
| Compound Name: | 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3ccc4c(c3)OCO4)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5453 |
| logD: | 3.5447 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.511 |
| InChI Key: | GNUQRVXNZZZGMK-UHFFFAOYSA-N |