الاسم: title compound
SMILES:
Cc1cc(-n2nc(-c3cc(CNC(=O)C(C)(C)C)ccc3Cl)[nH]c2=O)ccc1ClMolecular Processing
Molecular formula
C21H22Cl2N4O2
Molecular weight
433.34
Exact mass
432.112
XLogP
4.51
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
115.68
Supplementary Information
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