4-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1469 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 563.67 |
| Molecular Formula: | C35 H34 F N3 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9803 |
| logD: | 4.9339 |
| logSw: | -4.6713 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.384 |
| InChI Key: | YMRYBUIAFGPVQP-UHFFFAOYSA-N |