SMILES:
CC(=O)N(C)CC(C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12Molecular Processing
Molecular formula
C25H25ClN6O3
Molecular weight
492.97
Exact mass
492.1677
XLogP
4.64
TPSA
102.36
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
134.04
Supplementary Information
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