Molecule

ID:44931

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈ClN₃O₂Si
Molecular Mass
440.09452
Exact Mass
439.24218168
Charge
0
InChI
InChI=1S/C22H38ClN3O2Si/c1-21(2,3)20(27)25-18-9-11-24-19(23)17(18)14-26-12-10-16(13-26)15-28-29(7,8)22(4,5)6/h9,11,16H,10,12-15H2,1-8H3,(H,24,25,27)
InChIKey
OTWNFIDIKYSBQC-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
Isomeric Smiles
c1cnc(c(c1NC(=O)C(C)(C)C)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cl
Calculated Properties
JChem
Acid pKa
12.800988
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.2843113
LogD (pH = 7.4)
4.7085824
Log P
4.8811
Molar Refractivity
120.5659
Polarizability
48.287746
Polar Surface Area
54.46
Rotatable Bonds
8
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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