Name: N-(4-chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamide
SMILES:
O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(C#CCO)cc2c1OMolecular Processing
Molecular formula
C20H15ClN2O3
Molecular weight
366.8
Exact mass
366.0771
XLogP
2.87
TPSA
82.45
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
99.99
Supplementary Information
Details werden geladen…
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