4-[(4-fluorophenyl)methyl]-5-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0995 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-{1-[(thiophen-3-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C20 H21 F N4 O2 S |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3434 |
| logD: | 3.3428 |
| logSw: | -3.2589 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.887 |
| InChI Key: | BHXCRGHTXPOTOR-UHFFFAOYSA-N |