CC1(CCCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C
Nom: 2-[(3S)-7,7-dimethyl-2-oxoazepan-3-yl]isoindole-1,3-dione
SMILES: CC1(CCCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)C

Molecular Processing

Molecular formula
C16H18N2O3
Molecular weight
286.33
Exact mass
286.1317
XLogP
1.73
TPSA
66.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
76.8

Supplementary Information

InChIKey: UIZGDBLBIYPBEU-LBPRGKRZSA-N
Synonymes
SCHEMBL8428561UIZGDBLBIYPBEU-LBPRGKRZSA-N(S)-hexahydro-6-phthalimido-2,2-dimethyl-2H-azepine-7-one
Voir la source →
Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→