C1CC2(CCN(CC2)C3=NC4=CC=CC=C4N=C3)C(=O)N(C1)CC5=CC(=CC=C5)I
Nom: 2-[(3-iodophenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILES: C1CC2(CCN(CC2)C3=NC4=CC=CC=C4N=C3)C(=O)N(C1)CC5=CC(=CC=C5)I

Molecular Processing

Molecular formula
C24H25IN4O
Molecular weight
512.4
Exact mass
512.1073
XLogP
4.64
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
127.23

Supplementary Information

InChIKey: MSJATPMJTPMWJJ-UHFFFAOYSA-N
Synonymes
SCHEMBL2024882MSJATPMJTPMWJJ-UHFFFAOYSA-N2-(3-iodobenzyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→