이름: tert-butyl 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetate
SMILES:
COc1cn(CC(=O)OC(C)(C)C)c(=O)cc1-c1cc(Cl)ccc1OC(F)FMolecular Processing
Molecular formula
C19H20ClF2NO5
Molecular weight
415.82
Exact mass
415.0998
XLogP
4.12
TPSA
66.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
100.18
Supplementary Information
InChIKey: IJNKHTKDRVRFBA-UHFFFAOYSA-N
동의어
tert-Butyl {4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxopyridin-1(2H)-yl}acetateSCHEMBL16138089
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