4-fluoro-N-{1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
4-fluoro-N-{1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}benzamide
4-fluoro-N-{1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-2187 |
| Compound Name: | 4-fluoro-N-{1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C21 H21 F N6 O2 |
| Smiles: | C1CN(CCN1C(Cn1cnc(NC(c2ccc(cc2)F)=O)n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9455 |
| logD: | 1.2458 |
| logSw: | -2.4957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.204 |
| InChI Key: | POTZNEQUIKVTFQ-UHFFFAOYSA-N |