Name: ethyl 1-(5-chloro-4′-(methylthio)-6-(2,2,2-trifluoroethoxy)biphenyl-3-yl)cyclobutane carboxylate
SMILES:
CCOC(=O)C1(c2cc(Cl)c(OCC(F)(F)F)c(-c3ccc(SC)cc3)c2)CCC1Molecular Processing
Molecular formula
C22H22ClF3O3S
Molecular weight
458.93
Exact mass
458.093
XLogP
6.65
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
112.38
Supplementary Information
Details werden geladen…
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