Name: (S)-4-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid methyl ester
SMILES:
COC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(C(F)(F)F)c2)=CC1=OMolecular Processing
Molecular formula
C18H20F3NO4
Molecular weight
371.36
Exact mass
371.1344
XLogP
3.4
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
87.13
Supplementary Information
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