Nombre: (2S)-3-cyclohexyl-2-[5-oxo-3-(2-propylphenoxy)-2H-pyrrol-1-yl]propanoic acid
SMILES:
CCCC1=CC=CC=C1OC2=CC(=O)N(C2)C(CC3CCCCC3)C(=O)OMolecular Processing
Molecular formula
C22H29NO4
Molecular weight
371.48
Exact mass
371.2097
XLogP
4.17
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
103.48
Supplementary Information
InChIKey: VAEHILPNGPKUDU-IBGZPJMESA-N
Sinónimos
SCHEMBL1068192VAEHILPNGPKUDU-IBGZPJMESA-N(S)-3-cyclohexyl-2-[2-oxo-4-(2-propyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-propionic acid
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