SMILES:
COCCNC(=O)/C=C/c1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c2c1OCO2Molecular Processing
Molecular formula
C25H24N4O6
Molecular weight
476.49
Exact mass
476.1696
XLogP
3.37
TPSA
123.96
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
129.33
Supplementary Information
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