SMILES:
CCn1cc(Cl)c(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)n1Molecular Processing
Molecular formula
C21H17ClN4O3
Molecular weight
408.85
Exact mass
408.0989
XLogP
3.53
TPSA
93.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
109.51
Supplementary Information
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