CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CBr
Название: 4-[2-[[7-(bromomethyl)-1-benzothiophen-4-yl]oxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CBr

Molecular Processing

Molecular formula
C21H18BrNO2S
Molecular weight
428.35
Exact mass
427.0242
XLogP
6.38
TPSA
35.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
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
0.19
Molar refractivity
110.33

Supplementary Information

InChIKey: NWJFOUPLSSRYLJ-UHFFFAOYSA-N
Синонимы
SCHEMBL5759675NWJFOUPLSSRYLJ-UHFFFAOYSA-N4-[2-(7-Bromomethyl-benzo [b]thiophen-4-yloxy)-ethyl]-5-methyl-2-phenyl-oxazole4-[2-(7-Bromomethyl-benzo[b]thiophen-4-yloxy)-ethyl]-5-methyl-2-phenyl-oxazole
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