CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)CC(C(=O)OC)N(C(=O)OCc1ccccc1)C2
SMILES: CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)CC(C(=O)OC)N(C(=O)OCc1ccccc1)C2

Molecular Processing

Molecular formula
C53H49N7O4
Molecular weight
848.02
Exact mass
847.3846
XLogP
9.67
TPSA
117.26
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
64
Rings
9
Aromatic rings
8
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
244.91

Supplementary Information

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