SMILES:
COCCOC(=O)C1=C(Cn2ccnc2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C22H24N4O7
Molecular weight
456.46
Exact mass
456.1645
XLogP
2.07
TPSA
134.82
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.78
Supplementary Information
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