SMILES:
CCN1c2ncc(CCOc3cccc4ncccc34)cc2C(=O)Nc2c(C)cc(Cl)nc21Molecular Processing
Molecular formula
C25H22ClN5O2
Molecular weight
459.94
Exact mass
459.1462
XLogP
5.33
TPSA
80.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
129.8
Supplementary Information
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