4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-0439 |
| Compound Name: | 4-(4-benzylpiperidine-1-carbonyl)-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 536.72 |
| Molecular Formula: | C35 H40 N2 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCC(CC2)Cc2ccccc2)=O)c2ccccc2C(N1C1CCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9248 |
| logD: | 6.9248 |
| logSw: | -5.8001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.793 |
| InChI Key: | DPMQHUCAUMNHNI-UHFFFAOYSA-N |