SMILES:
CC1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4c(CN)cccc43)c21Molecular Processing
Molecular formula
C26H35N5O2
Molecular weight
449.6
Exact mass
449.2791
XLogP
4.41
TPSA
84.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
128.83
Supplementary Information
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