COc1ccccc1[C@]1(O)C[C@H](C)C[C@H]2CN(C(=O)Cc3ccccc3N(C)C)C[C@H]21.Cl
SMILES: COc1ccccc1[C@]1(O)C[C@H](C)C[C@H]2CN(C(=O)Cc3ccccc3N(C)C)C[C@H]21.Cl

Molecular Processing

Molecular formula
C26H35ClN2O3
Molecular weight
459.03
Exact mass
458.2336
XLogP
4.12
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
130.57

Supplementary Information

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