Molecule

ID:1322

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀N₂O₃
Molecular Mass
394.5066
Exact Mass
394.22564283
Charge
0
InChI
InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
InChIKey
YDSDEBIZUNNPOB-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1
Isomeric Smiles
O(C(=O)C1(N(c2ccccc2)C(=O)CC)CCN(CC1)CCc1ccccc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.93
LogD (pH = 5.5)
1.17
Log P
3.67
Rotatable Bonds
8
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.05
Polar Surface Area
49.85
Polarizability
44.31
Molar Refractivity
114.38
LOG S
-4.39
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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