AC1LYMGE
ethyl 2-[[2-amino-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[2-amino-1-(4-methylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-amino-1-(p-tolyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[2-amino-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C29H27N5O3S |
|---|---|
| Molecular Weight | 525.1835 g/mol |
| LogP | 5.83362 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.1835 |
| Monoisotopic Mass | 525.1835 |
| Heavy Atoms | 38 |
| Complexity | 1718.4727 |
Chemical Identifiers
| CAS Number | 369396-50-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC=C(C=C6)C)N |
Product Overview
AC1LYMGE (CAS 369396-50-9), with molecular formula C29H27N5O3S and molecular weight 525.1835 g/mol. IUPAC: ethyl 2-[[2-amino-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.