CC1=C(C2=C(C(=C1Br)F)OC(=N2)C(=O)N(C)C)C#N
Name: 6-bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide
SMILES: CC1=C(C2=C(C(=C1Br)F)OC(=N2)C(=O)N(C)C)C#N

Molecular Processing

Molecular formula
C12H9BrFN3O2
Molecular weight
326.13
Exact mass
324.9862
XLogP
2.61
TPSA
70.13
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
69.14

Supplementary Information

InChIKey: DJIBQBYYZKNQDF-UHFFFAOYSA-N
Synonyme
SCHEMBL3295336DJIBQBYYZKNQDF-UHFFFAOYSA-N6-Bromo-4-cyano-7-fluoro-N,N,5-trimethyl-1,3-benzoxazole-2-carboxamide
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