SMILES:
CC(C)C(C#N)(CCCN1CCN(CCOc2cccc(C#N)c2)CC1)c1cc(C#N)sc1BrMolecular Processing
Molecular formula
C26H30BrN5OS
Molecular weight
540.53
Exact mass
539.1354
XLogP
5.15
TPSA
87.08
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
137.63
Supplementary Information
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