AC1MGBNT
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41024921|methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(5-bromo-2-chlorobenzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[(5-bromo-2-chlorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate|methyl 2-{[(5-bromo-2-chlorophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H17BrClNO3S |
|---|---|
| Molecular Weight | 440.9801 g/mol |
| LogP | 5.3277 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.9801 |
| Monoisotopic Mass | 440.9801 |
| Heavy Atoms | 25 |
| Complexity | 849.087 |
Chemical Identifiers
| CAS Number | 445239-41-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=CC(=C3)Br)Cl |
Product Overview
AC1MGBNT (CAS 445239-41-8), with molecular formula C18H17BrClNO3S and molecular weight 440.9801 g/mol. IUPAC: methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.