CCOC(=O)COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1

Molecular Processing

Molecular formula
C24H19ClN4O5
Molecular weight
478.89
Exact mass
478.1044
XLogP
4.05
TPSA
130.41
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
124.88

Supplementary Information

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