CCOC(=O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1
Name: ester
SMILES: CCOC(=O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

Molecular Processing

Molecular formula
C43H33N5O2
Molecular weight
651.77
Exact mass
651.2634
XLogP
8.94
TPSA
74.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
50
Rings
8
Aromatic rings
8
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.07
Molar refractivity
195.64

Supplementary Information

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