ethyl 2-({[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1501-0720 |
| Compound Name: | ethyl 2-({[2,2,2-trichloro-1-(2-fluoroacetamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 490.83 |
| Molecular Formula: | C16 H19 Cl3 F N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C([Cl])([Cl])[Cl])NC(CF)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6356 |
| logD: | 3.3091 |
| logSw: | -4.3938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.887 |
| InChI Key: | AIZSNTNFPCJIBD-AWEZNQCLSA-N |