SMILES:
CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)C1CCCCC1Molecular Processing
Molecular formula
C22H30N6O
Molecular weight
394.52
Exact mass
394.2481
XLogP
3.6
TPSA
98.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
115.44
Supplementary Information
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