SMILES:
COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc(OC)c5c(c4)OCCO5)CC3)c2c1.ClMolecular Processing
Molecular formula
C26H33ClN4O5
Molecular weight
517.03
Exact mass
516.2139
XLogP
2.86
TPSA
87.08
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
140.09
Supplementary Information
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