3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide
3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-3996 |
| Compound Name: | 3-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 549.04 |
| Molecular Formula: | C29 H25 Cl N2 O5 S |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7232 |
| logD: | 5.7138 |
| logSw: | -6.0349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.671 |
| InChI Key: | DWSXDUQHEXSTSC-UHFFFAOYSA-N |