SMILES:
CCC(CC)(c1ccc(-c2nnn[nH]2)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1Molecular Processing
Molecular formula
C25H34N4O2
Molecular weight
422.57
Exact mass
422.2682
XLogP
5.07
TPSA
83.92
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
123.11
Supplementary Information
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