Cc1c(-c2ccccc2)ccn(CCC(C)(C(=O)O)S(C)(=O)=O)c1=O
Nom: 2-methyl-4-(3-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)-2-(methylsulfonyl)butanoic acid
SMILES: Cc1c(-c2ccccc2)ccn(CCC(C)(C(=O)O)S(C)(=O)=O)c1=O

Molecular Processing

Molecular formula
C18H21NO5S
Molecular weight
363.44
Exact mass
363.114
XLogP
2.1
TPSA
93.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.38

Supplementary Information

Récupération des détails…

Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→