SMILES:
CCN1C(=O)CCC(C)(C)c2ccc(Nc3ncc(Cl)c(NC4C5C=CC(C5)C4C(N)=O)n3)cc21Molecular Processing
Molecular formula
C26H31ClN6O2
Molecular weight
495.03
Exact mass
494.2197
XLogP
4.39
TPSA
113.24
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
137.89
Supplementary Information
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