CCCC(Br)CCCCC(C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1
Name: α-(5-bromooctyl)-3,4-dimethoxy-α-[(4-methylphenyl)thio]benzeneacetonitrile
SMILES: CCCC(Br)CCCCC(C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1

Molecular Processing

Molecular formula
C25H32BrNO2S
Molecular weight
490.51
Exact mass
489.1337
XLogP
7.65
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
129.96

Supplementary Information

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