2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J079-0853 |
| Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H26 F3 N3 O3 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1cccc(c1)C(F)(F)F)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.5762 |
| logD: | 4.5142 |
| logSw: | -4.2902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.068 |
| InChI Key: | PKGWYKJLTWWWEM-UHFFFAOYSA-N |