الاسم: methyl 2(R/S)-[4-(4-fluorophenoxy)benzenesulfonyl][(ethoxycarbonyl)methyl]amino-3,3-dimethyl-butanedioic acid
SMILES:
CCOC(=O)CNC(C(=O)OC)(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C23H26FNO9S
Molecular weight
511.52
Exact mass
511.1312
XLogP
2.52
TPSA
145.3
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
120.9
Supplementary Information
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