2-propyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-propyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
2-propyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | V004-5414 |
| Compound Name: | 2-propyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 611.66 |
| Molecular Formula: | C33 H36 F3 N3 O5 |
| Salt: | not_available |
| Smiles: | CCCN1C(C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C1=O)c1cc(c(c(c1)OC)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2203 |
| logD: | 5.2203 |
| logSw: | -5.1479 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.788 |
| InChI Key: | NWWPYQNTVKPVDU-UHFFFAOYSA-N |