4'-amino-2',2'-bis(trifluoromethyl)-2',7'-dihydrospiro[cyclohexane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Chemical Structure Depiction of
4'-amino-2',2'-bis(trifluoromethyl)-2',7'-dihydrospiro[cyclohexane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
4'-amino-2',2'-bis(trifluoromethyl)-2',7'-dihydrospiro[cyclohexane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8015-5032 |
| Compound Name: | 4'-amino-2',2'-bis(trifluoromethyl)-2',7'-dihydrospiro[cyclohexane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile |
| Molecular Weight: | 427.39 |
| Molecular Formula: | C21 H19 F6 N3 |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=CC(C(C#N)=C(N)N12)(C(F)(F)F)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1068 |
| logD: | 5.1068 |
| logSw: | -5.3896 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.339 |
| InChI Key: | FXBNFEIPSAAGGE-UHFFFAOYSA-N |