이름: 3-[3-(3-bromopropoxy)phenyl]thieno[2,3-d][1,2]oxazole
SMILES:
C1=CC(=CC(=C1)OCCCBr)C2=NOC3=C2SC=C3Molecular Processing
Molecular formula
C14H12BrNO2S
Molecular weight
338.23
Exact mass
336.9772
XLogP
4.72
TPSA
35.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
81.23
Supplementary Information
InChIKey: LACIBZJZLHMTLT-UHFFFAOYSA-N
동의어
SCHEMBL6069802LACIBZJZLHMTLT-UHFFFAOYSA-N3-[3-(3-bromo-propoxy)-phenyl]-thieno[2,3-d]isoxazole3-[3-(3-bromo-propoxy)phenyl]-thieno[2,3-d]isoxazole
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