2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Compound characteristics
| Compound ID: | 8018-7169 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide |
| Molecular Weight: | 561.68 |
| Molecular Formula: | C29 H27 N3 O5 S2 |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0526 |
| logD: | 5.0442 |
| logSw: | -4.7886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.792 |
| InChI Key: | CBYOOJRDYVBAQB-UHFFFAOYSA-N |