名称: 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-N-hydroxy-α-(4-morpholinyl)-1H-1,4-benzodiazepine-2-methanimine
SMILES:
ON=C(C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1)N1CCOCC1Molecular Processing
Molecular formula
C20H20ClFN4O2
Molecular weight
402.86
Exact mass
402.1259
XLogP
3.23
TPSA
69.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
107.38
Supplementary Information
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