名称: methyl (2S)-3-cyclohexyl-2-[3-[(6-methyl-3-pyridinyl)oxy]-5-oxo-2H-pyrrol-1-yl]propanoate
SMILES:
COC(=O)[C@H](CC1CCCCC1)N1CC(Oc2ccc(C)nc2)=CC1=OMolecular Processing
Molecular formula
C20H26N2O4
Molecular weight
358.44
Exact mass
358.1893
XLogP
3.01
TPSA
68.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
96.39
Supplementary Information
InChIKey: ACSGGNQVDYQKFG-SFHVURJKSA-N
同義語
SCHEMBL1065795ACSGGNQVDYQKFG-SFHVURJKSA-N(S)-3-cyclohexyl-2-[4-(6-methyl-pyridin-3-yloxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid methyl ester
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