Name: methyl (2S)-3-cyclohexyl-2-[5-oxo-3-[3-(trifluoromethyl)phenoxy]-2H-pyrrol-1-yl]propanoate
SMILES:
COC(=O)C(CC1CCCCC1)N2CC(=CC2=O)OC3=CC=CC(=C3)C(F)(F)FMolecular Processing
Molecular formula
C21H24F3NO4
Molecular weight
411.42
Exact mass
411.1657
XLogP
4.32
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
98.86
Supplementary Information
InChIKey: GHDFGZDCTXOTJC-SFHVURJKSA-N
Synonyme
(S)-3-cyclohexyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-propionic acid methyl esterSCHEMBL1067692
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