SMILES:
COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C)c1Molecular Processing
Molecular formula
C20H23N5O2
Molecular weight
365.44
Exact mass
365.1852
XLogP
2.71
TPSA
81.93
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
102.87
Supplementary Information
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