Molecule

ID:50599

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃ClN₂O₄
Molecular Mass
354.82852
Exact Mass
354.13463491
Charge
0
InChI
InChI=1S/C17H23ClN2O4/c1-10-6-11(14(18)19-7-10)12-8-20(9-13(12)15(21)23-5)16(22)24-17(2,3)4/h6-7,12-13H,8-9H2,1-5H3/t12-,13+/m1/s1
InChIKey
UHOACTCEPNBWQZ-OLZOCXBDSA-N
Canonic Smiles
COC(=O)[C@H]1CN(C[C@@H]1c1cc(C)cnc1Cl)C(=O)OC(C)(C)C
Isomeric Smiles
c1(cnc(c(c1)[C@H]1CN(C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6393733
LogD (pH = 7.4)
2.6394053
Log P
2.6394057
Molar Refractivity
91.4015
Polarizability
35.39216
Polar Surface Area
68.73
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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