COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1
SMILES: COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1

Molecular Processing

Molecular formula
C38H39N5O6S
Molecular weight
693.83
Exact mass
693.2621
XLogP
7.2
TPSA
114.28
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
50
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.289
Molar refractivity
194.43

Supplementary Information

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