SMILES:
COC(=O)c1cc(=O)n(CCNC2CCN(Cc3ccc4c(c3)OCCO4)CC2)c2cc(OC)ccc12.ClMolecular Processing
Molecular formula
C28H34ClN3O6
Molecular weight
544.05
Exact mass
543.2136
XLogP
3.24
TPSA
91.26
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
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
0.429
Molar refractivity
147.08
Supplementary Information
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