AC1MXXAT
N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide
Also Known As: AO-022/43454901|(E)-N-(3-cyano-10-methyl-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide|N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide|N-(3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)-1,3-benzodioxole-5-carboxamide|N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C26H23N5O4 |
|---|---|
| Molecular Weight | 469.17502 g/mol |
| LogP | 3.4893 |
| Topological Polar Surface Area | 110.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.17502 |
| Monoisotopic Mass | 469.17502 |
| Heavy Atoms | 35 |
| Complexity | 1659.4539 |
Chemical Identifiers
| CAS Number | 862199-64-2 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC4=C(C=C3)OCO4)C#N)C(=O)N5C=CC=C(C5=N2)C |
Product Overview
AC1MXXAT (CAS 862199-64-2), with molecular formula C26H23N5O4 and molecular weight 469.17502 g/mol. IUPAC: N-(5-cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide.