Molecule

ID:131953

General Information
Structure
MolImage
Molecular Formula
C₃₁H₄₂N₄O₇
Molecular Mass
582.68778
Exact Mass
582.3053497
Charge
0
InChI
InChI=1S/C31H42N4O7/c1-4-5-11-24(32-19-36)28(38)33-25(16-20(2)3)29(39)34-26(17-21-9-7-6-8-10-21)30(40)35-27(31(41)42)18-22-12-14-23(37)15-13-22/h6-10,12-15,19-20,24-27,37H,4-5,11,16-18H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)(H,35,40)(H,41,42)
InChIKey
DUWJXVXSPCZTQX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)Cc1ccccc1)CC(C)C)NC=O
Isomeric Smiles
CCCCC(C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(cc1)O)C(=O)O)NC=O
Calculated Properties
JChem
Acid pKa
3.7185972
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
1.4758443
LogD (pH = 7.4)
-0.04453986
Log P
3.256737
Molar Refractivity
155.9613
Polarizability
60.91073
Polar Surface Area
173.93
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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