Nom: N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperidine-2-ethanamine
SMILES:
c1cn(-c2nccc(N3CCCCC3CCNCc3ccc4c(c3)OCO4)n2)cn1Molecular Processing
Molecular formula
C22H26N6O2
Molecular weight
406.49
Exact mass
406.2117
XLogP
2.93
TPSA
77.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.03
Supplementary Information
Récupération des détails…
Impliqué dans 22 réactions→