이름: methyl 3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-(2,2-difluorocyclopropyl)propanoate
SMILES:
COC(=O)CC(c1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1)C1CC1(F)FMolecular Processing
Molecular formula
C24H22Cl2F5NO3
Molecular weight
538.34
Exact mass
537.0897
XLogP
7.22
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
121.92
Supplementary Information
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