CCCCc1nnc(OC[C@@H]2CN(C)C[C@H]2CO)cc1-c1ccc(OCc2ccccc2)cc1.Cl.Cl
SMILES: CCCCc1nnc(OC[C@@H]2CN(C)C[C@H]2CO)cc1-c1ccc(OCc2ccccc2)cc1.Cl.Cl

Molecular Processing

Molecular formula
C28H37Cl2N3O3
Molecular weight
534.53
Exact mass
533.2212
XLogP
5.46
TPSA
67.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.429
Molar refractivity
148.41

Supplementary Information

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