methyl 2-{[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1502-0041 |
| Compound Name: | methyl 2-{[2,2,2-trichloro-1-(2-methylbenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 475.82 |
| Molecular Formula: | C20 H21 Cl3 N2 O3 S |
| Smiles: | Cc1ccccc1C(NC(C([Cl])([Cl])[Cl])Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4283 |
| logD: | 4.8751 |
| logSw: | -5.9657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.339 |
| InChI Key: | RDGWXUIOSBJVDR-IBGZPJMESA-N |