الاسم: (S)-3-cyclohexyl-2-[2-oxo-4-(2-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-propionic acid
SMILES:
O=C(O)[C@H](CC1CCCCC1)N1CC(Oc2ccccc2C(F)(F)F)=CC1=OMolecular Processing
Molecular formula
C20H22F3NO4
Molecular weight
397.39
Exact mass
397.1501
XLogP
4.23
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.48
Supplementary Information
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