SMILES:
CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Molecular Processing
Molecular formula
C25H22N6O3
Molecular weight
454.49
Exact mass
454.1753
XLogP
4.12
TPSA
107.81
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
126.39
Supplementary Information
Details werden geladen…
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