이름: methyl 3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)pentanoate
SMILES:
CCC(CC(=O)OC)c1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1Molecular Processing
Molecular formula
C23H24Cl2F3NO3
Molecular weight
490.35
Exact mass
489.1085
XLogP
6.97
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
119.16
Supplementary Information
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