Name: (2S,3R)-3-amino-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one trifluoroacetate salt
SMILES:
C[C@@H]1Oc2ccccc2NC(=O)[C@@H]1N.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C12H13F3N2O4
Molecular weight
306.24
Exact mass
306.0827
XLogP
1.37
TPSA
101.65
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
66.83
Supplementary Information
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Involved in 6 reactions→