CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)Br)NC(=O)O1)C
Name: 6-(3-bromophenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
SMILES: CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)Br)NC(=O)O1)C

Molecular Processing

Molecular formula
C16H14BrNO2
Molecular weight
332.2
Exact mass
331.0208
XLogP
4.91
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.71

Supplementary Information

InChIKey: PPDYGKBOJSGKBD-UHFFFAOYSA-N
Synonyme
SCHEMBL3870385PPDYGKBOJSGKBD-UHFFFAOYSA-N6-(3-bromo-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one6-(3-bromophenyl)-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
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