AC1MEXIM
methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[2-(2,4-dichlorophenyl)-3-methylquinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{[2-(2,4-dichlorophenyl)-3-methyl(4-quinolyl)]carbonylamino}-6-methyl -4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C28H24Cl2N2O3S |
|---|---|
| Molecular Weight | 538.08844 g/mol |
| LogP | 7.74222 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.08844 |
| Monoisotopic Mass | 538.08844 |
| Heavy Atoms | 36 |
| Complexity | 1529.2511 |
Chemical Identifiers
| CAS Number | 420091-07-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl)C |
Product Overview
AC1MEXIM (CAS 420091-07-2), with molecular formula C28H24Cl2N2O3S and molecular weight 538.08844 g/mol. IUPAC: methyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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