CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)F)C(=O)O)F
الاسم: 2,5-difluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)F)C(=O)O)F

Molecular Processing

Molecular formula
C16H20F2N2O4
Molecular weight
342.34
Exact mass
342.1391
XLogP
2.72
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.34

Supplementary Information

InChIKey: PXZOQCYKVGJPQE-UHFFFAOYSA-N
مرادفات
SCHEMBL710108PXZOQCYKVGJPQE-UHFFFAOYSA-N4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2,5-difluorobenzoic acid
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