ethyl 2-[2-({1-[2-(3,4-dimethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({1-[2-(3,4-dimethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({1-[2-(3,4-dimethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C064-0504 |
| Compound Name: | ethyl 2-[2-({1-[2-(3,4-dimethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 635.8 |
| Molecular Formula: | C33 H37 N3 O6 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1cn(CCNC(c2ccc(c(c2)OC)OC)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3025 |
| logD: | 3.1206 |
| logSw: | -5.3821 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.414 |
| InChI Key: | YNJMLOJVYYDXQT-UHFFFAOYSA-N |