Name: Ethyl [4-(4,9-diethoxy-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetate
SMILES:
CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCC)c4ccccc4c3OCC)C2=O)cc1Molecular Processing
Molecular formula
C26H25NO6
Molecular weight
447.49
Exact mass
447.1682
XLogP
4.54
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
124.21
Supplementary Information
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Involved in 8 reactions→