名称: diethyl 2-(3-methoxy-5-(methylthio)-4-propoxyphenyl)-2,5-dicyano-5-(3,4,5-trimethoxyphenyl)-1,6-hexanedioate
SMILES:
CCCOc1c(OC)cc(C(C#N)(CCC(C#N)(C(=O)OCC)c2cc(OC)c(OC)c(OC)c2)C(=O)OCC)cc1SCMolecular Processing
Molecular formula
C32H40N2O9S
Molecular weight
628.74
Exact mass
628.2455
XLogP
5.36
TPSA
146.33
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
44
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
163.74
Supplementary Information
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