الاسم: 3-{6-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-methanesulfonyl-pyrimidin-4-yloxy}-benzoic acid ethyl ester
SMILES:
CCOC(=O)c1cccc(Oc2cc(NCCc3ccc(OC)c(OC)c3)nc(S(C)(=O)=O)n2)c1Molecular Processing
Molecular formula
C24H27N3O7S
Molecular weight
501.56
Exact mass
501.157
XLogP
3.52
TPSA
125.94
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
129.35
Supplementary Information
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