SMILES:
O=C(NCc1ccc(Cl)cc1)c1cn(CCN2CCOCC2)c2ccc(C=CCO)cc2c1=OMolecular Processing
Molecular formula
C26H28ClN3O4
Molecular weight
481.98
Exact mass
481.1768
XLogP
2.92
TPSA
83.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
134.21
Supplementary Information
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