methyl 2-(2-cyano-3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-cyano-3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3643-3297 |
| Compound Name: | methyl 2-(2-cyano-3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C(=C\c1ccccc1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2887 |
| logD: | -0.6196 |
| logSw: | -4.5178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.275 |
| InChI Key: | NORSTCVAJHLVDJ-UHFFFAOYSA-N |