名称: [4-(3-Isobutoxy-5-phenylethynyl-benzylsulfanyl)-2-methyl-phenoxy]-acetic acid ethyl ester
SMILES:
CCOC(=O)COc1ccc(SCc2cc(C#Cc3ccccc3)cc(OCC(C)C)c2)cc1CMolecular Processing
Molecular formula
C30H32O4S
Molecular weight
488.65
Exact mass
488.2021
XLogP
6.66
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
142.06
Supplementary Information
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