O=C(c1cc(F)ccc1F)N1CCNc2ncc(I)cc21
Name: (2,5-Difluorophenyl)-(7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone
SMILES: O=C(c1cc(F)ccc1F)N1CCNc2ncc(I)cc21

Molecular Processing

Molecular formula
C14H10F2IN3O
Molecular weight
401.15
Exact mass
400.9837
XLogP
3.04
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
83.48

Supplementary Information

Details werden geladen…

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