名称: 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-N-hydroxy-α-(4-morpholinyl)-1H-1,4-benzodiazepine-2-methanimine 4-oxide
SMILES:
[O-][N+]1=C(c2ccccc2F)c2cc(Cl)ccc2NC(C(=NO)N2CCOCC2)C1Molecular Processing
Molecular formula
C20H20ClFN4O3
Molecular weight
418.86
Exact mass
418.1208
XLogP
2.74
TPSA
83.16
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
108.58
Supplementary Information
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