SMILES:
Cn1c(=O)c(-c2ccc(Br)cc2)cc2c3cc(-c4csc(CN)n4)ccc3n(C)c21Molecular Processing
Molecular formula
C23H19BrN4OS
Molecular weight
479.4
Exact mass
478.0463
XLogP
5.04
TPSA
65.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
127.8
Supplementary Information
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