Name: 6-amino-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
SMILES:
Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2Molecular Processing
Molecular formula
C12H12ClF3N2O
Molecular weight
292.69
Exact mass
292.059
XLogP
2.41
TPSA
46.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
65.91
Supplementary Information
Details werden geladen…
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