Molecule
ID:22795
General Information
Molecular Formula
C₂₃H₃₂N₂O₂
Molecular Mass
368.51238
Exact Mass
368.24637827
Charge
0
InChI
InChI=1S/C23H32N2O2/c1-15-8-10-17(24)13-19(15)25-21(26)14-27-20-11-9-16(22(2,3)4)12-18(20)23(5,6)7/h8-13H,14,24H2,1-7H3,(H,25,26)
InChIKey
SMSOETFRDXBHDJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)COc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCC(=O)Nc1cc(N)ccc1C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.586758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.479152
LogD (pH = 7.4)
5.5021634
Log P
5.5024676
Molar Refractivity
113.9565
Polarizability
42.972065
Polar Surface Area
64.35
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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