ethyl 2-[2-({1-[2-(4-ethoxybenzamido)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-(4-ethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({1-[2-(4-ethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C064-0333 |
| Compound Name: | ethyl 2-[2-({1-[2-(4-ethoxybenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 619.8 |
| Molecular Formula: | C33 H37 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1cn(CCNC(c2ccc(cc2)OCC)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0472 |
| logD: | 3.8654 |
| logSw: | -5.521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.276 |
| InChI Key: | CHNRPPZDYHQHGS-UHFFFAOYSA-N |