ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate
ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 5473-0111 |
| Compound Name: | ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate |
| Molecular Weight: | 357.38 |
| Molecular Formula: | C15 H17 F2 N3 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(NC(c1ccc(c(c1)F)F)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5039 |
| logD: | 2.487 |
| logSw: | -3.0016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.096 |
| InChI Key: | WOKQFWXMZVKSIJ-UHFFFAOYSA-N |