ethyl 2-[2-({1-[2-(2,6-difluorobenzamido)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-(2,6-difluorobenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({1-[2-(2,6-difluorobenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C064-0390 |
| Compound Name: | ethyl 2-[2-({1-[2-(2,6-difluorobenzamido)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 611.73 |
| Molecular Formula: | C31 H31 F2 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1cn(CCNC(c2c(cccc2F)F)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8458 |
| logD: | 3.6639 |
| logSw: | -5.5489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.153 |
| InChI Key: | CUUCCINEMRUEON-UHFFFAOYSA-N |