N-[2-(6,7-dimethoxyisoquinoline-1-carbonyl)-4,5-dimethoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[2-(6,7-dimethoxyisoquinoline-1-carbonyl)-4,5-dimethoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[2-(6,7-dimethoxyisoquinoline-1-carbonyl)-4,5-dimethoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8018-1082 |
| Compound Name: | N-[2-(6,7-dimethoxyisoquinoline-1-carbonyl)-4,5-dimethoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C29 H28 N2 O6 S |
| Smiles: | COc1cc(C(c2c3cc(c(cc3ccn2)OC)OC)=O)c(cc1OC)NC(c1csc2CCCCc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5869 |
| logD: | 4.511 |
| logSw: | -4.3942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.106 |
| InChI Key: | TZUIFPFAPBPXIB-UHFFFAOYSA-N |