COCCNCC1=C(OC2=C1C=CC(=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl
Название: [6-bromo-3-[(2-methoxyethylamino)methyl]-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILES: COCCNCC1=C(OC2=C1C=CC(=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Molecular Processing

Molecular formula
C19H16BrCl2NO3
Molecular weight
457.15
Exact mass
454.9691
XLogP
5.47
TPSA
51.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
107.39

Supplementary Information

InChIKey: NQSOIZHGZXKCFR-UHFFFAOYSA-N
Синонимы
SCHEMBL3098497NQSOIZHGZXKCFR-UHFFFAOYSA-N{6-Bromo-3-[(2-methoxy-ethylamino)-methyl]-benzofuran-2yl}-(2,4-dichlorophenyl)-methanone{6-Bromo-3-[(2-methoxy-ethylamino)methyl]-benzofuran-2yl}(2,4-dichlorophenyl)-methanone
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