3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}butan-2-yl)aniline
Chemical Structure Depiction of
3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}butan-2-yl)aniline
3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}butan-2-yl)aniline
Compound characteristics
| Compound ID: | J034-1445 |
| Compound Name: | 3,4-dimethoxy-N-(2-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}butan-2-yl)aniline |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | CCC(C)(c1nnnn1c1cccc(c1)C(F)(F)F)Nc1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4875 |
| logD: | 4.4875 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.554 |
| InChI Key: | GPSDZMRSYOJUIL-IBGZPJMESA-N |