SMILES:
Cl.O=C1CCc2c(cccc2OCC(O)CN2CCN(c3ccccc3)CC2)N1Molecular Processing
Molecular formula
C22H28ClN3O3
Molecular weight
417.94
Exact mass
417.1819
XLogP
2.55
TPSA
65.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
117.24
Supplementary Information
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