SMILES:
COc1ccc(CCNc2cc(-c3cccc(C(=O)NC(C)=N)c3)nc(OC)n2)cc1Molecular Processing
Molecular formula
C23H25N5O3
Molecular weight
419.49
Exact mass
419.1957
XLogP
3.54
TPSA
109.22
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
120.07
Supplementary Information
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