methyl 2-({2,2,2-trichloro-1-[(thiophene-2-carbonyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2,2,2-trichloro-1-[(thiophene-2-carbonyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({2,2,2-trichloro-1-[(thiophene-2-carbonyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1611-4322 |
| Compound Name: | methyl 2-({2,2,2-trichloro-1-[(thiophene-2-carbonyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 467.82 |
| Molecular Formula: | C17 H17 Cl3 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(C([Cl])([Cl])[Cl])NC(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8471 |
| logD: | 4.4626 |
| logSw: | -5.0216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.357 |
| InChI Key: | LLSINABKANAAGH-INIZCTEOSA-N |