ethyl 2-{[(1-benzamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-benzamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1-benzamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1503-0001 |
| Compound Name: | ethyl 2-{[(1-benzamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 534.91 |
| Molecular Formula: | C21 H22 Cl3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2384 |
| logD: | 4.6897 |
| logSw: | -5.7804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.828 |
| InChI Key: | NBKGXRLXKZDJNV-IBGZPJMESA-N |