SMILES:
Cn1c(=O)c(-c2c(Cl)cncc2Cl)nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21Molecular Processing
Molecular formula
C22H19Cl2N7O2
Molecular weight
484.35
Exact mass
483.0977
XLogP
3.67
TPSA
98.06
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
128.58
Supplementary Information
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