AC1OBSPR
2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
Also Known As: (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione|2-(5-{(E)-[(8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione|2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C28H20ClN5O4 |
|---|---|
| Molecular Weight | 525.12036 g/mol |
| LogP | 4.52662 |
| Topological Polar Surface Area | 109.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.12036 |
| Monoisotopic Mass | 525.12036 |
| Heavy Atoms | 38 |
| Complexity | 1853.3849 |
Chemical Identifiers
| CAS Number | 488121-71-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)NC6=C2C=C(C=C6)Cl |
Product Overview
AC1OBSPR (CAS 488121-71-7), with molecular formula C28H20ClN5O4 and molecular weight 525.12036 g/mol. IUPAC: 2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione.
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