Molecule

ID:50605

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂N₂O₃Si
Molecular Mass
366.48578
Exact Mass
366.13996911
Charge
0
InChI
InChI=1S/C20H22N2O3Si/c1-24-17-8-5-15(6-9-17)13-22-18-10-7-16(11-12-26(2,3)4)21-20(18)25-14-19(22)23/h5-10H,13-14H2,1-4H3
InChIKey
RRPWAUUJYVKFGN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN1C(=O)COc2c1ccc(n2)C#C[Si](C)(C)C
Isomeric Smiles
c1(ccc2c(n1)OCC(=O)N2Cc1ccc(cc1)OC)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.9078934
LogD (pH = 7.4)
3.9078999
Log P
3.9079
Molar Refractivity
93.038
Polarizability
39.25182
Polar Surface Area
51.66
Rotatable Bonds
5
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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