C1=CC=C(C=C1)CC(CC(=O)NN=C(CC2=CC=NC3=CC=CC=C23)C4=CC=CC=N4)CBr
Nom: 3-benzyl-4-bromo-N-[(1-pyridin-2-yl-2-quinolin-4-ylethylidene)amino]butanamide
SMILES: C1=CC=C(C=C1)CC(CC(=O)NN=C(CC2=CC=NC3=CC=CC=C23)C4=CC=CC=N4)CBr

Molecular Processing

Molecular formula
C27H25BrN4O
Molecular weight
501.43
Exact mass
500.1212
XLogP
5.34
TPSA
67.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
136.41

Supplementary Information

InChIKey: PJZWGIWDUVPUBV-UHFFFAOYSA-N
Synonymes
SCHEMBL6098686PJZWGIWDUVPUBV-UHFFFAOYSA-N3-Benzyl-4-bromo-butyric Acid (1-pyridin-2-yl-2-quinolin-4-yl-ethylidene)-hydrazide3-benzyl-4-bromo-butyric acid(1-pyridin-2-yl-2-quinolin-4-yl-ethylidene)-hydrazide
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→