N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D513-0324 |
| Compound Name: | N-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C21 H21 F N6 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 1.4371 |
| logD: | 1.0826 |
| logSw: | -2.3045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.45 |
| InChI Key: | WDJHWVSKAXLVAF-UHFFFAOYSA-N |