ethyl 3-{[2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 3-{[2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C271-0428 |
| Compound Name: | ethyl 3-{[2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C29 H27 N3 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(C1C(c2cn(C)c3ccccc23)N(C)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5486 |
| logD: | 4.5483 |
| logSw: | -4.1474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.093 |
| InChI Key: | NQHIVBUXZGMDRN-UHFFFAOYSA-N |