Название: 3-({2-chloro-4-[(E)-2-cyclopentyl-1-(5-ethyl-6-methoxypyridin-2-yl)ethenyl]phenyl}sulfanyl)propyl 4-methylbenzenesulfonate
SMILES:
CCc1ccc(/C(=C/C2CCCC2)c2ccc(SCCCOS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)nc1OCMolecular Processing
Molecular formula
C31H36ClNO4S2
Molecular weight
586.22
Exact mass
585.1774
XLogP
8.12
TPSA
65.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
160.31
Supplementary Information
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