이름: 2-chloro-N-(8,9-difluoro-2,4-dioxabicyclo[3.2.2]nona-1(8),5(9),6-trien-6-yl)-5-fluoropyrimidin-4-amine
SMILES:
C1OC2=C(C(=C(O1)C(=C2)NC3=NC(=NC=C3F)Cl)F)FMolecular Processing
Molecular formula
C11H5ClF3N3O2
Molecular weight
303.63
Exact mass
303.0022
XLogP
3.02
TPSA
56.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
62.76
Supplementary Information
InChIKey: KMXWRJVIEVAACY-UHFFFAOYSA-N
동의어
SCHEMBL654467KMXWRJVIEVAACY-UHFFFAOYSA-N2-chloro-N4-(3,4-difluoromethylenedioxyphenyl)-5-fluoro-4-pyrimidineamine
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