이름: (2S)-3-cyclohexyl-2-[3-(2,3-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
SMILES:
O=C(O)[C@H](CC1CCCCC1)N1CC(Oc2cccc(F)c2F)=CC1=OMolecular Processing
Molecular formula
C19H21F2NO4
Molecular weight
365.38
Exact mass
365.1439
XLogP
3.49
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
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
7
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
89.4
Supplementary Information
InChIKey: KQNCACHWXOZDNY-HNNXBMFYSA-N
동의어
SCHEMBL1067553KQNCACHWXOZDNY-HNNXBMFYSA-N(S)-3-cyclohexyl-2-[4-(2,3-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
2개 반응에 참여→