Molecule

ID:127192

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀Cl₂F₂N₂O₂S
Molecular Mass
497.3849064
Exact Mass
496.05906069
Charge
0
InChI
InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
InChIKey
IQQBRKLVEALROM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccc(cc1)Cl)N1CC(C1)N(S(=O)(=O)C)c1cc(F)cc(c1)F
Isomeric Smiles
Fc1cc(cc(F)c1)N(C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.389258
LogD (pH = 7.4)
5.4778986
Log P
5.479154
Molar Refractivity
122.296
Polarizability
47.957287
Polar Surface Area
40.62
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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