SMILES:
COCCN1C(=O)CCC(C)(C)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4OCC#N)n3)cc21Molecular Processing
Molecular formula
C27H29ClN6O3
Molecular weight
521.02
Exact mass
520.199
XLogP
5.57
TPSA
112.4
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
144.09
Supplementary Information
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