SMILES:
Nc1ccc(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c(N)ncnc32)cc1Molecular Processing
Molecular formula
C20H17BrN6O2S
Molecular weight
485.37
Exact mass
484.0317
XLogP
3.88
TPSA
114.1
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
118.68
Supplementary Information
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