ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K413-0185 |
| Compound Name: | ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C24 H28 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C(C)Sc1cn(C)c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7107 |
| logD: | 3.2779 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.689 |
| InChI Key: | NETSCMQWZQFBKJ-HNNXBMFYSA-N |