methyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1502-0044 |
| Compound Name: | methyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.72 |
| Molecular Formula: | C14 H17 Cl3 N2 O3 S |
| Smiles: | CC(NC(C([Cl])([Cl])[Cl])Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3246 |
| logD: | 3.1068 |
| logSw: | -3.993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.509 |
| InChI Key: | MRPVKLSIDSIUDA-ZDUSSCGKSA-N |