COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)C4=NC(=CC=C4)Br
Название: 2-[4-(6-bromo-2-pyridinyl)-3-methoxyphenyl]-1,3-benzoxazole
SMILES: COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)C4=NC(=CC=C4)Br

Molecular Processing

Molecular formula
C19H13BrN2O2
Molecular weight
381.23
Exact mass
380.016
XLogP
5.33
TPSA
48.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
96.93

Supplementary Information

InChIKey: JEVCPKGHQGBBMW-UHFFFAOYSA-N
Синонимы
SCHEMBL5832825JEVCPKGHQGBBMW-UHFFFAOYSA-N2-[4-(6-bromopyridin-2-yl)-3-methoxyphenyl]-1,3-benzoxazole
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