Molecule

ID:51568

General Information
Structure
MolImage
Molecular Formula
C₂₉H₄₂FN₃O₃Si
Molecular Mass
527.7459832
Exact Mass
527.29794697
Charge
0
InChI
InChI=1S/C29H42FN3O3Si/c1-29(2,3)37(5,6)36-20-22-14-15-33(17-22)26-13-12-23(27(30)31-26)24-18-32(19-25(24)28(34)35-4)16-21-10-8-7-9-11-21/h7-13,22,24-25H,14-20H2,1-6H3/t22?,24-,25+/m0/s1
InChIKey
POKUJHAYXYKFDA-OELIULCZSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cc1ccccc1
Isomeric Smiles
c1c(nc(c(c1)[C@@H]1CN(C[C@H]1C(=O)OC)Cc1ccccc1)F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.8933856
LogD (pH = 7.4)
4.7011347
Log P
5.8226
Molar Refractivity
145.0702
Polarizability
57.42233
Polar Surface Area
54.9
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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