5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2362 |
| Compound Name: | 5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2ccc3cc[nH]c3c2)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5414 |
| logD: | 3.5182 |
| logSw: | -3.5267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.565 |
| InChI Key: | OXPHSIQSFNLWTQ-UHFFFAOYSA-N |