SMILES:
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Cl)o1)OC(C)(C)C3Molecular Processing
Molecular formula
C23H22ClN3O4
Molecular weight
439.9
Exact mass
439.1299
XLogP
3.85
TPSA
71.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
118.58
Supplementary Information
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