4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1204 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C30 H31 N3 O5 |
| Smiles: | CN1C(C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1569 |
| logD: | 2.7207 |
| logSw: | -3.4802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.536 |
| InChI Key: | KKJFVUSKHNXLCS-UHFFFAOYSA-N |