SMILES:
CCCC(=O)c1cnc2c(C(C)O)cccc2c1Nc1ccc(O)cc1CMolecular Processing
Molecular formula
C22H24N2O3
Molecular weight
364.45
Exact mass
364.1787
XLogP
5.03
TPSA
82.45
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.74
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→