2-cyclopropyl-3-(3-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-cyclopropyl-3-(3-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
2-cyclopropyl-3-(3-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | V031-2654 |
| Compound Name: | 2-cyclopropyl-3-(3-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C31 H30 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C1C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C(N1C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2935 |
| logD: | 5.2935 |
| logSw: | -5.5177 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.656 |
| InChI Key: | DVRCFDDGIZACDR-UHFFFAOYSA-N |