N-{4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonyl}-beta-alanine
Chemical Structure Depiction of
N-{4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonyl}-beta-alanine
N-{4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonyl}-beta-alanine
Compound characteristics
| Compound ID: | 8017-2980 |
| Compound Name: | N-{4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonyl}-beta-alanine |
| Molecular Weight: | 498.42 |
| Molecular Formula: | C24 H20 F6 N2 O3 |
| Smiles: | C1C=CC2C1C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc12)C(NCCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6528 |
| logD: | 1.9572 |
| logSw: | -4.6591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.232 |
| InChI Key: | AGLJHKDQSANDEZ-UHFFFAOYSA-N |