SMILES:
O=C(O)C1(Sc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)CCC1Molecular Processing
Molecular formula
C20H18BrN3O2S
Molecular weight
444.35
Exact mass
443.0303
XLogP
5.16
TPSA
68.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
108.61
Supplementary Information
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