Molecule

ID:129443

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₈N₂O₂
Molecular Mass
434.61352
Exact Mass
434.29332847
Charge
0
InChI
InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
InChIKey
KUMKLUDNETVLDS-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(C(=O)NC23CC4CC(C3)CC(C2)C4)c(=O)c2c1ccc(c2)C(C)C
Isomeric Smiles
CC(C)c1ccc2c(c1)c(=O)c(cn2CCCCC)C(=O)NC12CC3CC(C1)CC(C3)C2
Calculated Properties
JChem
Acid pKa
15.320481
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.8946486
LogD (pH = 7.4)
5.894721
Log P
5.894722
Molar Refractivity
130.3289
Polarizability
50.00836
Polar Surface Area
49.41
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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