4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1480 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 607.68 |
| Molecular Formula: | C36 H34 F N3 O5 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8515 |
| logD: | 4.4153 |
| logSw: | -4.5821 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.499 |
| InChI Key: | CLTAQYGACSWQMH-UHFFFAOYSA-N |