이름: 3-{4-[4-(4-tert-Butylphenyl)-4-oxo-2-(4-trifluoromethoxyphenyl)butyryl]benzoylamino}propionic acid methyl ester
SMILES:
COC(=O)CCNC(=O)c1ccc(C(=O)C(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(OC(F)(F)F)cc2)cc1Molecular Processing
Molecular formula
C32H32F3NO6
Molecular weight
583.6
Exact mass
583.2182
XLogP
6.42
TPSA
98.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
149.69
Supplementary Information
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