SMILES:
Br.OC1(C(c2ccccc2)c2ccccc2)CSC2=NCCCCCN21Molecular Processing
Molecular formula
C21H25BrN2OS
Molecular weight
433.42
Exact mass
432.0871
XLogP
4.67
TPSA
35.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
115.32
Supplementary Information
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