이름: (R)-5-(5-bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
SMILES:
C[C@]1(c2cc(Br)ccc2F)N=C(N)COCC1(F)FMolecular Processing
Molecular formula
C12H12BrF3N2O
Molecular weight
337.14
Exact mass
336.0085
XLogP
2.83
TPSA
47.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.84
Supplementary Information
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