Название: 2-butyryl-5-[3-(n-butylthiomethyl)-2,4,6-trimethylphenyl]-3-hydroxycyclohex-2-en-1-one
SMILES:
CCCCSCc1c(C)cc(C)c(C2CC(=O)C(C(=O)CCC)=C(O)C2)c1CMolecular Processing
Molecular formula
C24H34O3S
Molecular weight
402.6
Exact mass
402.2229
XLogP
6.27
TPSA
54.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
118.27
Supplementary Information
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