4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | V017-7619 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C30 H33 N3 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(C(C(N2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5471 |
| logD: | 3.5006 |
| logSw: | -3.5619 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.432 |
| InChI Key: | JRUBFUQPXWCDQC-UHFFFAOYSA-N |