ethyl 2-({[2,2,2-trichloro-1-(4-methoxybenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2,2,2-trichloro-1-(4-methoxybenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2,2,2-trichloro-1-(4-methoxybenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1503-0002 |
| Compound Name: | ethyl 2-({[2,2,2-trichloro-1-(4-methoxybenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 564.94 |
| Molecular Formula: | C22 H24 Cl3 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)OC)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3258 |
| logD: | 4.9717 |
| logSw: | -6.0812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.372 |
| InChI Key: | ZRMITAZLROCINU-FQEVSTJZSA-N |