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

Molecular Processing

Molecular formula
C29H39Cl2N3O3
Molecular weight
548.56
Exact mass
547.2368
XLogP
6.11
TPSA
56.71
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
37
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
0.448
Molar refractivity
153.2

Supplementary Information

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