SMILES:
CCCN1CCN(c2ccc(C(=O)NC3(C(=O)OC)CCCCC3)cc2)CC1.ClMolecular Processing
Molecular formula
C22H34ClN3O3
Molecular weight
423.99
Exact mass
423.2289
XLogP
3.25
TPSA
61.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.636
Molar refractivity
117.93
Supplementary Information
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