methyl 6-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-oxohexanoate
methyl 6-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-oxohexanoate
Compound characteristics
| Compound ID: | V001-9995 |
| Compound Name: | methyl 6-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-oxohexanoate |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C26 H27 F3 N2 O4 |
| Smiles: | COC(CCCCC(N1CCc2c3cc(ccc3[nH]c2C1c1cccc(c1)C(F)(F)F)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1035 |
| logD: | 5.1035 |
| logSw: | -5.0067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.938 |
| InChI Key: | AIXAMCLRVBCWEM-RUZDIDTESA-N |