SMILES:
COC(=O)CN(C)C(=O)c1ccc(C(=O)c2ccc(CSc3nc4cccc(C)c4c(=O)n3C)cc2)cc1Molecular Processing
Molecular formula
C29H27N3O5S
Molecular weight
529.62
Exact mass
529.1671
XLogP
4.01
TPSA
98.57
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
146.57
Supplementary Information
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