methyl 2-[(2-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino}-2-oxoethyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 2-[(2-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino}-2-oxoethyl)sulfanyl]benzoate
methyl 2-[(2-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino}-2-oxoethyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8019-8759 |
| Compound Name: | methyl 2-[(2-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino}-2-oxoethyl)sulfanyl]benzoate |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C30 H30 N2 O7 S |
| Smiles: | COC(c1ccccc1SCC(Nc1cc(c(cc1Cc1c2cc(c(cc2ccn1)OC)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9949 |
| logD: | 3.9865 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.884 |
| InChI Key: | IEWJUWJPJGYOIH-UHFFFAOYSA-N |