2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0458 |
| Compound Name: | 2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 553.75 |
| Molecular Formula: | C35 H43 N3 O3 |
| Smiles: | CCN(CCCNC(C1C(c2ccc(cc2)OC)N(C2CCCCC2)C(c2ccccc12)=O)=O)c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4558 |
| logD: | 6.4235 |
| logSw: | -5.6138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | SEWTVRIAWUSVQU-UHFFFAOYSA-N |