Nombre: methyl (2S)-3-cyclohexyl-2-[5-oxo-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-1-yl]propanoate
SMILES:
COC(=O)[C@H](CC1CCCCC1)N1CC(Oc2ccccc2OCc2ccccc2)=CC1=OMolecular Processing
Molecular formula
C27H31NO5
Molecular weight
449.55
Exact mass
449.2202
XLogP
4.88
TPSA
65.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
124.64
Supplementary Information
InChIKey: LYQQDEZZFLAILH-QHCPKHFHSA-N
Sinónimos
SCHEMBL1064416LYQQDEZZFLAILH-QHCPKHFHSA-N(S)-2-[4-(2-benzyloxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionic acid methyl ester
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