ethyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-2309 |
| Compound Name: | ethyl 2-{3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C23 H27 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(/C=C/c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2623 |
| logD: | 4.0859 |
| logSw: | -5.5273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | CQGYLSAFNRLRDJ-UHFFFAOYSA-N |