Название: 6-bromo-7-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CC1=C(C2=C(C(=C1Br)F)OC(=N2)C(C)(C)CO)C#NMolecular Processing
Molecular formula
C13H12BrFN2O2
Molecular weight
327.15
Exact mass
326.0066
XLogP
3.18
TPSA
70.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.23
Supplementary Information
InChIKey: VIWYOUDYXPLCJR-UHFFFAOYSA-N
Синонимы
SCHEMBL3295447VIWYOUDYXPLCJR-UHFFFAOYSA-N6-Bromo-7-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-5-methyl-1,3-benzoxazole-4-carbonitrile
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