4-[(4-fluorophenyl)methyl]-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0899 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C24 H27 F N4 O3 |
| Smiles: | COc1ccc(CCC(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.883 |
| logD: | 3.8824 |
| logSw: | -3.944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.412 |
| InChI Key: | PBWMYVBSZWWTLN-UHFFFAOYSA-N |