이름: ethyl (+)-(2R)-2-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}benzyl)butanoate
SMILES:
CCOC(=O)[C@H](CC)Cc1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1Molecular Processing
Molecular formula
C24H26Cl2F3NO3
Molecular weight
504.38
Exact mass
503.1242
XLogP
7.05
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
123.61
Supplementary Information
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