COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(=Cc3nn(C(=O)OC(C)(C)C)c4ccccc34)C2=O)C(C)C)cc1
SMILES: COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(=Cc3nn(C(=O)OC(C)(C)C)c4ccccc34)C2=O)C(C)C)cc1

Molecular Processing

Molecular formula
C36H37N5O6
Molecular weight
635.72
Exact mass
635.2744
XLogP
6
TPSA
114.28
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
47
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
179.74

Supplementary Information

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