CC(C)(C)C(=O)COC1=C(C=C(C(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)Cl)C(=O)C4=NC=CN4C
Nom: 1-[[6-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-methylimidazole-2-carbonyl)-2-pyridinyl]oxy]-3,3-dimethylbutan-2-one
SMILES: CC(C)(C)C(=O)COC1=C(C=C(C(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)Cl)C(=O)C4=NC=CN4C

Molecular Processing

Molecular formula
C28H25Cl2N3O3
Molecular weight
522.43
Exact mass
521.1273
XLogP
6.68
TPSA
74.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
141.73

Supplementary Information

InChIKey: UILHSPSKXZBDLA-UHFFFAOYSA-N
Synonymes
SCHEMBL5254342UILHSPSKXZBDLA-UHFFFAOYSA-N1-({6-(2-Chlorophenyl)-5-(4-chlorophenyl)-3-[(1-methyl-1H-imidazol-2-yl)carbonyl]pyridin-2-yl}oxy)-3,3-dimethylbutan-2-one
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→