CAS: 230615-56-2
Nombre: 1-(4-amino-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone
SMILES:
C1C2CN(CC1C3=C2C=CC(=C3)N)C(=O)C(F)(F)FMolecular Processing
Molecular formula
C13H13F3N2O
Molecular weight
270.25
Exact mass
270.098
XLogP
2.24
TPSA
46.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
63.59
Supplementary Information
InChIKey: LBIBXCMFBMASMP-UHFFFAOYSA-N
Sinónimos
3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano3-benzazepin-7-amineSCHEMBL3564889SCHEMBL29761239230615-56-21-(7-amino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone1-(4-Amino-10-aza-tncyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl) -2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone1-(4-amino-10-aza-tricyclo[6.3.1.02.7-]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-amino-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02.7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone1-(7-Amino-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one
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