N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
Compound characteristics
| Compound ID: | V012-7051 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C27 H24 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(c2ccc(cc2)c2cc(c3cccc(c3)C(F)(F)F)n[nH]2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0553 |
| logD: | 5.0553 |
| logSw: | -4.7495 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.972 |
| InChI Key: | KMBNXCHMYLPUGS-UHFFFAOYSA-N |