AC1MDI9E
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_783294|AE-641/40793093|methyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2-(4-chloro-2-methylphenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[2-(4-chloro-2-methylphenoxy)acetylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H22ClNO4S |
|---|---|
| Molecular Weight | 407.0958 g/mol |
| LogP | 4.63882 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0958 |
| Monoisotopic Mass | 407.0958 |
| Heavy Atoms | 27 |
| Complexity | 877.10693 |
Chemical Identifiers
| CAS Number | 433697-76-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)C |
Product Overview
AC1MDI9E (CAS 433697-76-8), with molecular formula C20H22ClNO4S and molecular weight 407.0958 g/mol. IUPAC: methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.