N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-8800 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C30 H28 N4 O6 S |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(CSC1C(Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2063 |
| logD: | 3.1979 |
| logSw: | -3.4315 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.116 |
| InChI Key: | CZFMOYHCYVIURH-UHFFFAOYSA-N |