ethyl 2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-5012 |
| Compound Name: | ethyl 2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 441.36 |
| Molecular Formula: | C17 H17 Br N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(NC(c1ccccc1[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4383 |
| logD: | 1.65 |
| logSw: | -4.4105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.788 |
| InChI Key: | NGVSXSZOGZLJCI-UHFFFAOYSA-N |