Name: methyl 4-[cyclohexyl(5-cyclohexyl-2-ethylthiophen-3-yl)methoxy]benzoate
SMILES:
CCc1sc(C2CCCCC2)cc1C(Oc1ccc(C(=O)OC)cc1)C1CCCCC1Molecular Processing
Molecular formula
C27H36O3S
Molecular weight
440.65
Exact mass
440.2385
XLogP
7.85
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
127.25
Supplementary Information
Details werden geladen…
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