Molecule

ID:5691

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₀N₂O₃
Molecular Mass
384.4272
Exact Mass
384.14739251
Charge
0
InChI
InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
InChIKey
HLZMYWLMBBLASX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1=C(c2ccccc2)C(=O)N(C1=O)Cc1ccccc1
Isomeric Smiles
COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
11.717842
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.7383068
LogD (pH = 7.4)
3.7382872
Log P
3.738307
Molar Refractivity
113.7339
Polarizability
42.754642
Polar Surface Area
58.64
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.03
LOG S
-5.44
Solubility (Water)
1.38e-03 g/l
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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