Name: 2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethylsulfanyl]phenoxy}propionic acid ethyl ester
SMILES:
CCOC(=O)C(C)(C)Oc1ccc(SCCc2nc(-c3ccccc3)oc2C)cc1Molecular Processing
Molecular formula
C24H27NO4S
Molecular weight
425.55
Exact mass
425.1661
XLogP
5.71
TPSA
61.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
118.89
Supplementary Information
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