Название: solution
SMILES:
CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cccc(Br)n4)s3)c2)CC1Molecular Processing
Molecular formula
C21H20BrN5O2S2
Molecular weight
518.46
Exact mass
517.0242
XLogP
4.5
TPSA
78.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
126.06
Supplementary Information
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