AC1M1P9C
ethyl 6-(5-bromo-2-chlorobenzoyl)imino-7-(furan-2-ylmethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: Oprea1_590948|F0565-0696|(Z)-ethyl 2-((5-bromo-2-chlorobenzoyl)imino)-1-(furan-2-ylmethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (6Z)-6-[(5-bromo-2-chlorobenzoyl)imino]-7-[(furan-2-yl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|ethyl (2Z)-2-{[(5-bromo-2-chlorophenyl)carbonyl]imino}-1-(furan-2-ylmethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ETHYL 2-[(5-BROMO-2-CHLOROBENZOYL)IMINO]-1-(2-FURYLMETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE|ethyl 6-(5-bromo-2-chlorobenzoyl)imino-7-(furan-2-ylmethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
| Molecular Formula | C26H18BrClN4O5 |
|---|---|
| Molecular Weight | 580.0149 g/mol |
| LogP | 4.6242 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.0149 |
| Monoisotopic Mass | 580.0149 |
| Heavy Atoms | 37 |
| Complexity | 1808.4203 |
Chemical Identifiers
| CAS Number | 534580-35-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=C(C=CC(=C4)Br)Cl)CC5=CC=CO5 |
Product Overview
AC1M1P9C (CAS 534580-35-3), with molecular formula C26H18BrClN4O5 and molecular weight 580.0149 g/mol. IUPAC: ethyl 6-(5-bromo-2-chlorobenzoyl)imino-7-(furan-2-ylmethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.