Name: ethyl 4-[5,6-dihydro-5,5-dimethyl-8-(5-methyl-2-thienyl)-2-naphthalenyl]ethynylbenzoate
SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)s2)=CCC3(C)C)cc1Molecular Processing
Molecular formula
C28H26O2S
Molecular weight
426.58
Exact mass
426.1654
XLogP
6.75
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
128.6
Supplementary Information
Details werden geladen…
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