SMILES:
CC(=O)Nc1ccc(Sc2ccc(OCc3ccc(Br)cc3)cc2Nc2ccnc3nc(C)ccc23)cc1Molecular Processing
Molecular formula
C30H25BrN4O2S
Molecular weight
585.53
Exact mass
584.0882
XLogP
8.13
TPSA
76.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
157.34
Supplementary Information
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