Molecule

ID:127990

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₃N₃O₆
Molecular Mass
507.57812
Exact Mass
507.23693579
Charge
0
InChI
InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
InChIKey
WDERJSQJYIJOPD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C
Isomeric Smiles
O=C1OCc2ccccc2N1C1CCN(CC1)C(=O)c1ccc(cc1OC)OC1CCN(C(=O)C)CC1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.4917719
LogD (pH = 7.4)
1.4917735
Log P
1.4917735
Molar Refractivity
137.2566
Polarizability
52.67827
Polar Surface Area
88.62
Rotatable Bonds
5
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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