Название: 3-({2-chloro-4-[(E)-2-cyclopentyl-1-(5-ethyl-6-methoxypyridin-2-yl)ethenyl]phenyl}sulfanyl)propan-1-ol
SMILES:
CCc1ccc(/C(=C/C2CCCC2)c2ccc(SCCCO)c(Cl)c2)nc1OCMolecular Processing
Molecular formula
C24H30ClNO2S
Molecular weight
432.03
Exact mass
431.1686
XLogP
6.4
TPSA
42.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
123.08
Supplementary Information
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