SMILES:
Cc1cncc(-c2cccc(C3=Nc4cc(C)c(Cl)cc4NC(=O)C3)c2)n1Molecular Processing
Molecular formula
C21H17ClN4O
Molecular weight
376.85
Exact mass
376.1091
XLogP
4.88
TPSA
67.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
107.84
Supplementary Information
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