SMILES:
CCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCNS(C)(=O)=OMolecular Processing
Molecular formula
C18H24BrN5O2S
Molecular weight
454.39
Exact mass
453.0834
XLogP
3.21
TPSA
102.9
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
113.22
Supplementary Information
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