CC(=O)OCC1=NC(=CN=C1N2C(=O)C3=CC=CC=C3C2=O)C(Cl)Cl
Nom: [6-(dichloromethyl)-3-(1,3-dioxoisoindol-2-yl)pyrazin-2-yl]methyl acetate
SMILES: CC(=O)OCC1=NC(=CN=C1N2C(=O)C3=CC=CC=C3C2=O)C(Cl)Cl

Molecular Processing

Molecular formula
C16H11Cl2N3O4
Molecular weight
380.19
Exact mass
379.0127
XLogP
2.82
TPSA
89.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
89.53

Supplementary Information

InChIKey: OTKYSIYGXXNCMD-UHFFFAOYSA-N
Synonymes
SCHEMBL10511866OTKYSIYGXXNCMD-UHFFFAOYSA-N3-acetoxymethyl-5-dichloromethyl-2-phthalimidopyrazine
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→