5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0914 |
| Compound Name: | 5-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C23 H25 F N4 O4 |
| Smiles: | COc1ccc(cc1OC)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8528 |
| logD: | 2.8522 |
| logSw: | -3.1816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.656 |
| InChI Key: | SRXAPOVGIMIUDV-UHFFFAOYSA-N |