O=C(Cc1cc(F)ccc1F)N1CCNc2ncc(I)cc21
Name: 2-(2,5-Difluorophenyl)-1-(7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-ethanone
SMILES: O=C(Cc1cc(F)ccc1F)N1CCNc2ncc(I)cc21

Molecular Processing

Molecular formula
C15H12F2IN3O
Molecular weight
415.18
Exact mass
414.9993
XLogP
2.97
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
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
0.2
Molar refractivity
87.86

Supplementary Information

Details werden geladen…

An 11 Reaktionen beteiligt