الاسم: 2-methylsulfonyl-4-(ethoxycarbonylmethyl)amino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine
SMILES:
CCOC(=O)CNc1nc(S(C)(=O)=O)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C23H21N5O8S
Molecular weight
527.52
Exact mass
527.1111
XLogP
3.01
TPSA
183.64
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
11
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
128.92
Supplementary Information
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