2-(4-chlorophenoxy)-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-(4-chlorophenoxy)-1-{6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
2-(4-chlorophenoxy)-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: | V014-6533 |
| Compound Name: | 2-(4-chlorophenoxy)-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: | 514.93 |
| Molecular Formula: | C27 H22 Cl F3 N2 O3 |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c3cccc(c3)C(F)(F)F)c1[nH]2)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5606 |
| logD: | 6.5606 |
| logSw: | -6.5457 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.587 |
| InChI Key: | LSKJWABYIVDIAX-AREMUKBSSA-N |