ethyl 2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1503-0004 |
| Compound Name: | ethyl 2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 500.89 |
| Molecular Formula: | C18 H24 Cl3 N3 O3 S2 |
| Smiles: | CCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C(=O)OCC)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7908 |
| logD: | 4.5558 |
| logSw: | -4.9555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.887 |
| InChI Key: | KTWFDGRPDWAIKT-INIZCTEOSA-N |