7-hydroxy-1-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Chemical Structure Depiction of
7-hydroxy-1-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
7-hydroxy-1-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Compound characteristics
| Compound ID: | S768-0061 |
| Compound Name: | 7-hydroxy-1-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide |
| Molecular Weight: | 406.45 |
| Molecular Formula: | C22 H25 F3 N2 O2 |
| Smiles: | CN1CCCCCC(c2cc(ccc12)C(NCc1cccc(c1)C(F)(F)F)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9404 |
| logD: | 3.94 |
| logSw: | -4.0171 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.148 |
| InChI Key: | RUPCHXVBZVGECQ-FQEVSTJZSA-N |