C1CN2CCC1C3(C2)CC4=C(C=CN=C4O3)NCC5=CC=CC=C5
Nom: N-benzylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-4'-amine
SMILES: C1CN2CCC1C3(C2)CC4=C(C=CN=C4O3)NCC5=CC=CC=C5

Molecular Processing

Molecular formula
C20H23N3O
Molecular weight
321.42
Exact mass
321.1841
XLogP
3.09
TPSA
37.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
94.23

Supplementary Information

InChIKey: JDVWJOKVZDXBAI-UHFFFAOYSA-N
Synonymes
SCHEMBL4499204JDVWJOKVZDXBAI-UHFFFAOYSA-N4'-(Phenylmethyl)aminospiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
Voir la source
Impliqué dans 5 réactions