Molecule

ID:95662

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉Cl₄F₂N₃O₂S
Molecular Mass
557.2682664
Exact Mass
554.99201502
Charge
0
InChI
InChI=1S/C21H19Cl4F2N3O2S/c22-15-3-1-5-17(26)13(15)11-30(12-14-16(23)4-2-6-18(14)27)32-21(31)28-20(19(24)25)29-7-9-33-10-8-29/h1-6,19H,7-12H2
InChIKey
HRSTZEVJGYOTMP-UHFFFAOYSA-N
Canonic Smiles
O=C(/N=C(/N1CCSCC1)\C(Cl)Cl)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
Isomeric Smiles
N(=C(\N1CCSCC1)/C(Cl)Cl)/C(=O)ON(Cc1c(cccc1Cl)F)Cc1c(cccc1Cl)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.9656663
LogD (pH = 7.4)
5.9656663
Log P
5.9656663
Molar Refractivity
130.5041
Polarizability
50.01153
Polar Surface Area
45.14
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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