Molecule

ID:51609

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈FN₃O₄
Molecular Mass
393.4524232
Exact Mass
393.20638461
Charge
0
InChI
InChI=1S/C20H28FN3O4/c1-20(2,3)28-19(26)24-11-14(15(12-24)18(25)27-4)13-7-8-16(22-17(13)21)23-9-5-6-10-23/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15+/m0/s1
InChIKey
DWCQZHQUMYNFSA-LSDHHAIUSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(nc1F)N1CCCC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)F)[C@H]1[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9466915
LogD (pH = 7.4)
2.946694
Log P
2.946694
Molar Refractivity
104.0084
Polarizability
39.156128
Polar Surface Area
71.97
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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