CCOC(=O)c1nc2c(C#N)c(C)c(-c3cccc(Cl)c3)c(F)c2o1
Name: ethyl 6-(3-chlorophenyl)-4-cyano-7-fluoro-5-methyl-1,3-benzoxazole-2-carboxylate
SMILES: CCOC(=O)c1nc2c(C#N)c(C)c(-c3cccc(Cl)c3)c(F)c2o1

Molecular Processing

Molecular formula
C18H12ClFN2O3
Molecular weight
358.76
Exact mass
358.052
XLogP
4.64
TPSA
76.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
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
0.167
Molar refractivity
89.82

Supplementary Information

InChIKey: XWMIQDOYMOLUPA-UHFFFAOYSA-N
Synonyme
SCHEMBL3293685XWMIQDOYMOLUPA-UHFFFAOYSA-Nethyl 6-(3-chlorophenyl)-4-cyano-7-fluoro-5-methyl-1,3-benzoxazole-2-carboxylate
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