1-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2,2,2-trifluoroethan-1-one
1-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 8018-9253 |
| Compound Name: | 1-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 569.96 |
| Molecular Formula: | C30 H23 Cl F3 N O5 |
| Smiles: | COc1ccc(cc1OC)c1c(c2ccc(cc2)[Cl])c(C(C(F)(F)F)=O)n2ccc3cc(c(cc3c12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5444 |
| logD: | 6.5444 |
| logSw: | -6.5566 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.918 |
| InChI Key: | VBSJUYQRWDOYLO-UHFFFAOYSA-N |