이름: (S)-8-trifluoromethyl-12,12a-dihydro-9-oxo-9H,11H-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylic acid
SMILES:
O=C(O)c1ncn2c1[C@@H]1CCN1C(=O)c1c-2cccc1C(F)(F)FMolecular Processing
Molecular formula
C15H10F3N3O3
Molecular weight
337.26
Exact mass
337.0674
XLogP
2.49
TPSA
75.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
73.92
Supplementary Information
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