2,2-dichloro-1-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
Chemical Structure Depiction of
2,2-dichloro-1-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
2,2-dichloro-1-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | V002-9173 |
| Compound Name: | 2,2-dichloro-1-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one |
| Molecular Weight: | 457.28 |
| Molecular Formula: | C21 H17 Cl2 F3 N2 O2 |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c3cccc(c3)C(F)(F)F)c1[nH]2)C(C([Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4294 |
| logD: | 5.4294 |
| logSw: | -5.8568 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.887 |
| InChI Key: | APHHDMBVBVWYCX-GOSISDBHSA-N |