Name: Ethyl [1-(4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazol-2-yl)azetidin-3-yl]acetate
SMILES:
CCOC(=O)CC1CN(c2nc3c(C#N)c(C)c(-c4ccccc4)c(F)c3o2)C1Molecular Processing
Molecular formula
C22H20FN3O3
Molecular weight
393.42
Exact mass
393.1489
XLogP
4.2
TPSA
79.36
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.81
Supplementary Information
Details werden geladen…
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