CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OC)Br)NC3=C(C=C(C=C3)Cl)Cl
CAS: 953804-35-8
Nom: ethyl 6-bromo-4-(2,4-dichloroanilino)-7-methoxyquinoline-3-carboxylate
SMILES: CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OC)Br)NC3=C(C=C(C=C3)Cl)Cl

Molecular Processing

Molecular formula
C19H15BrCl2N2O3
Molecular weight
470.15
Exact mass
467.9643
XLogP
6.23
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
111.7

Supplementary Information

InChIKey: YHVSHTZMBJPISG-UHFFFAOYSA-N
Synonymes
SCHEMBL2905486ethyl 6-bromo-4-[(2,4-dichlorophenyl)amino]-7-methoxyquinoline-3-carboxylate953804-35-8DB-342827
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→