名称: 2-[4,5-bis-(p-methoxyphenyl)-thiazol-2-ylthio]-2-formylacetic acid ethyl ester
SMILES:
CCOC(=O)C(C=O)Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1Molecular Processing
Molecular formula
C22H21NO5S2
Molecular weight
443.55
Exact mass
443.0861
XLogP
4.72
TPSA
74.72
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
118.43
Supplementary Information
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