이름: N′-(2-cyano-5-{3-[(RS)-N-(ethoxycarbonyl)-S-methylsulphonimidoyl]benzyloxy}-4-methoxyphenyl)-N,N-dimethylformimidamide
SMILES:
CCOC(=O)N=S(C)(=O)c1cccc(COc2cc(N=CN(C)C)c(C#N)cc2OC)c1Molecular Processing
Molecular formula
C22H26N4O5S
Molecular weight
458.54
Exact mass
458.1624
XLogP
3.98
TPSA
113.58
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
122.1
Supplementary Information
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