ethyl 2-({[2,2,2-trichloro-1-(3-phenylprop-2-enamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2,2,2-trichloro-1-(3-phenylprop-2-enamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2,2,2-trichloro-1-(3-phenylprop-2-enamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1501-0729 |
| Compound Name: | ethyl 2-({[2,2,2-trichloro-1-(3-phenylprop-2-enamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 560.95 |
| Molecular Formula: | C23 H24 Cl3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C([Cl])([Cl])[Cl])NC(/C=C/c1ccccc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0519 |
| logD: | 5.8169 |
| logSw: | -6.1944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.615 |
| InChI Key: | DEJQAFFTNDANRP-NRFANRHFSA-N |