CCCc1nc(C=O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
SMILES: CCCc1nc(C=O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C42H36N6O3
Molecular weight
672.79
Exact mass
672.2849
XLogP
7.64
TPSA
104.79
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
51
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
195.35

Supplementary Information

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