ethyl 2-{2-[(1-{2-[(thiophene-2-carbonyl)amino]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-[(thiophene-2-carbonyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1-{2-[(thiophene-2-carbonyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C064-0447 |
| Compound Name: | ethyl 2-{2-[(1-{2-[(thiophene-2-carbonyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 581.78 |
| Molecular Formula: | C29 H31 N3 O4 S3 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1cn(CCNC(c2cccs2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5132 |
| logD: | 3.3313 |
| logSw: | -5.4228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.171 |
| InChI Key: | BWAOGUSPLQWBPD-UHFFFAOYSA-N |