N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-7186 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | Cc1nnc(SCC(Nc2cc(c(cc2Cc2c3cc(c(cc3ccn2)OC)OC)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9302 |
| logD: | 2.9218 |
| logSw: | -3.2775 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.382 |
| InChI Key: | UDQIKRXJCGFSQE-UHFFFAOYSA-N |