AC1OBYHE
2-amino-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: (E)-2-amino-N-isopentyl-1-((thiophen-2-ylmethylene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide|F3225-5629|2-amino-N-(3-methylbutyl)-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide|2-amino-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide|2-amino-N-(3-methylbutyl)-1-{[(E)-thiophen-2-ylmethylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C21H22N6OS |
|---|---|
| Molecular Weight | 406.1576 g/mol |
| LogP | 3.8863 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1576 |
| Monoisotopic Mass | 406.1576 |
| Heavy Atoms | 29 |
| Complexity | 1193.0582 |
Chemical Identifiers
| CAS Number | 577963-01-0 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC=CS4)N |
Product Overview
AC1OBYHE (CAS 577963-01-0), with molecular formula C21H22N6OS and molecular weight 406.1576 g/mol. IUPAC: 2-amino-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.