N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(trifluoromethyl)benzamide
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K415-0199 |
| Compound Name: | N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 468.43 |
| Molecular Formula: | C24 H19 F3 N4 O3 |
| Smiles: | COc1ccc(cc1OC)c1cnnn1c1ccc(cc1)NC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6937 |
| logD: | 4.6933 |
| logSw: | -4.5553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.575 |
| InChI Key: | IWTJKSPPAOSIIW-UHFFFAOYSA-N |