2-(2-methoxyethyl)-4-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-4-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methoxyethyl)-4-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | V021-2680 |
| Compound Name: | 2-(2-methoxyethyl)-4-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C31 H35 N3 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(C2C(c3ccccc3)N(CCOC)C(c3ccccc23)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9704 |
| logD: | 3.8269 |
| logSw: | -4.0784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.432 |
| InChI Key: | UNTUVIRHLQGZMP-UHFFFAOYSA-N |