SMILES:
CCOC(=O)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=Cc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4C)cc3OC)c(C)o2)cc1Molecular Processing
Molecular formula
C47H52N6O8S
Molecular weight
861.03
Exact mass
860.3567
XLogP
9.1
TPSA
143.51
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
15
Heavy atoms
62
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.34
Molar refractivity
238.03
Supplementary Information
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