名称: [4-(3-Cyclopentylmethoxy-5-phenylethynyl-phenylsulfanyl)-2-methyl-phenoxy]-acetic acid ethyl ester
SMILES:
CCOC(=O)COc1ccc(Sc2cc(C#Cc3ccccc3)cc(OCC3CCCC3)c2)cc1CMolecular Processing
Molecular formula
C31H32O4S
Molecular weight
500.66
Exact mass
500.2021
XLogP
7.06
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
143.75
Supplementary Information
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