CCCc1c(Cc2ccc(-c3ccccc3C#N)nc2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ncnn12
SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)nc2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ncnn12

Molecular Processing

Molecular formula
C31H34N6O4
Molecular weight
554.65
Exact mass
554.2642
XLogP
4.43
TPSA
124.4
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
152.31

Supplementary Information

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