ethyl 2-{[(3-bromobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-bromobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(3-bromobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4028-1329 |
| Compound Name: | ethyl 2-{[(3-bromobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 467.4 |
| Molecular Formula: | C19 H19 Br N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(c1cccc(c1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4355 |
| logD: | 3.6219 |
| logSw: | -5.4046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.708 |
| InChI Key: | NKUGWCWWJSUTRS-UHFFFAOYSA-N |