名称: 8-chloro-6-(2-fluorophenyl)-1-methyl-3-morpholino-4H-imidazo[1,5-a][1,4]-benzodiazepine 5-oxide
SMILES:
Cc1nc(N2CCOCC2)c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=[N+]([O-])C2Molecular Processing
Molecular formula
C22H20ClFN4O2
Molecular weight
426.88
Exact mass
426.1259
XLogP
3.67
TPSA
56.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
113.29
Supplementary Information
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