SMILES:
COC(C)c1ncnn1-c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1Molecular Processing
Molecular formula
C25H26N6O2
Molecular weight
442.52
Exact mass
442.2117
XLogP
4.23
TPSA
94.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.87
Supplementary Information
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