COC(=O)C(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)S(C)(=O)=O
名称: methyl 3-[4-methoxy-3-[N-(4-trifluoromethylbenzyl)]carbamoylphenyl]-2-(methylsulfonyl)propionate
SMILES: COC(=O)C(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)S(C)(=O)=O

Molecular Processing

Molecular formula
C21H22F3NO6S
Molecular weight
473.47
Exact mass
473.112
XLogP
2.77
TPSA
98.77
H-bond donors
1
H-bond acceptors
6
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
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
109.96

Supplementary Information

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