methyl 2-{[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1502-0043 |
| Compound Name: | methyl 2-{[2,2,2-trichloro-1-(2-methylpropanamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.78 |
| Molecular Formula: | C16 H21 Cl3 N2 O3 S |
| Smiles: | CC(C)C(NC(C([Cl])([Cl])[Cl])Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3915 |
| logD: | 4.1738 |
| logSw: | -4.7802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.61 |
| InChI Key: | IDAFCHSLEMRJGQ-HNNXBMFYSA-N |