Clc1ccc(Cl)c(CN2CCNc3ncc(I)cc32)c1
Nombre: 1-[(2,5-dichlorophenyl)methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
SMILES: Clc1ccc(Cl)c(CN2CCNc3ncc(I)cc32)c1

Molecular Processing

Molecular formula
C14H12Cl2IN3
Molecular weight
420.08
Exact mass
418.9453
XLogP
4.43
TPSA
28.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
92.96

Supplementary Information

InChIKey: PEPHABVAARHHPT-UHFFFAOYSA-N
Sinónimos
SCHEMBL1601486PEPHABVAARHHPT-UHFFFAOYSA-N1-(2,5-Dichlorobenzyl)-7-iodo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine1-(2,5-Dichlorobenzyl)-7-iodo-3,4-dihydro-1H-pyrido[2,3-b]pyrazine
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