ethyl 2-[2-(thiocyanato)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(thiocyanato)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(thiocyanato)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8002-0609 |
| Compound Name: | ethyl 2-[2-(thiocyanato)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C14 H16 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7331 |
| logD: | 0.8536 |
| logSw: | -2.9496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.653 |
| InChI Key: | QJJPHFQGAVGGHJ-UHFFFAOYSA-N |