5-[1-(4-butoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(4-butoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-butoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2318 |
| Compound Name: | 5-[1-(4-butoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(N1CCC(CC1)C1=NNC(N1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6636 |
| logD: | 4.6404 |
| logSw: | -4.1455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.202 |
| InChI Key: | XFUFLFFKCJZCQC-UHFFFAOYSA-N |