SMILES:
O=C(CN1CCCC1)N1c2ccccc2-n2c(nn(CCN3CCCC3)c2=O)-c2cccnc21Molecular Processing
Molecular formula
C25H29N7O2
Molecular weight
459.55
Exact mass
459.2383
XLogP
2.27
TPSA
79.5
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
129.55
Supplementary Information
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