CC(C)(CC1=C(C=C(C=C1)F)Cl)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O
Name: 8-[2-[[1-(2-chloro-4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
SMILES: CC(C)(CC1=C(C=C(C=C1)F)Cl)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O

Molecular Processing

Molecular formula
C20H22ClFN2O4
Molecular weight
408.86
Exact mass
408.1252
XLogP
3.16
TPSA
90.82
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.39

Supplementary Information

InChIKey: DUPOKJDATDIUGO-UHFFFAOYSA-N
Synonyms
SCHEMBL147122DUPOKJDATDIUGO-UHFFFAOYSA-N8-{2-[2-(2-chloro-4-fluoro-phenyl)-1,1-dimethyl-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one8-{2-[2-(2-chloro-4-fluorophenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one
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Involved in 4 reactions→

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