ethyl 2-{2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5965 |
| Compound Name: | ethyl 2-{2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C26 H30 N2 O4 S |
| Smiles: | CCCCCOc1ccc(/C=C(/C#N)C(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6491 |
| logD: | 1.7409 |
| logSw: | -5.6205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.272 |
| InChI Key: | PYZASTCRWCPDDQ-UHFFFAOYSA-N |