Nombre: 2-(((3-methyl-4-((8-methyl-1,4,7,9-tetraoxaspiro[4.5]dec-8-yl)methoxy)pyridin-2-yl)methyl)thio)-1H-benzimidazole
SMILES:
Cc1c(OCC2(C)OCC3(CO2)OCCO3)ccnc1CSc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C22H25N3O5S
Molecular weight
443.53
Exact mass
443.1515
XLogP
3.44
TPSA
87.72
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
115.07
Supplementary Information
Obteniendo detalles…
Participa en 6 reacciones→