ethyl 2-(3,5-difluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-difluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3,5-difluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0835 |
| Compound Name: | ethyl 2-(3,5-difluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 365.4 |
| Molecular Formula: | C18 H17 F2 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(cc(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6755 |
| logD: | -0.7562 |
| logSw: | -4.5219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.798 |
| InChI Key: | PUIASVMIUKJRTH-UHFFFAOYSA-N |