ethyl 2-{2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-9690 |
| Compound Name: | ethyl 2-{2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C24 H26 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(=C\c1ccc(cc1)C(C)C)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0049 |
| logD: | 1.0966 |
| logSw: | -5.5156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | ALYILYVMLJHSEJ-UHFFFAOYSA-N |