2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-1407 |
| Compound Name: | 2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 469.35 |
| Molecular Formula: | C20 H16 F9 N3 |
| Smiles: | C1CCC2C(=CC1)N(C(=C(C#N)C2(C(F)(F)F)C(F)(F)F)N)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3424 |
| logD: | 6.3424 |
| logSw: | -6.3161 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.14 |
| InChI Key: | PHFACQHXQAEKEJ-ZDUSSCGKSA-N |