Name: 6-amino-4,4-diethyl-5-fluoro-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
SMILES:
CCC1(CC)OC(=O)N(C)c2ccc(N)c(F)c21Molecular Processing
Molecular formula
C13H17FN2O2
Molecular weight
252.29
Exact mass
252.1274
XLogP
3.01
TPSA
55.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
67.96
Supplementary Information
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