Molecule

ID:35373

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅FN₂O₄
Molecular Mass
352.4005032
Exact Mass
352.17983551
Charge
0
InChI
InChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-11-14(9-15(21)16(22)24-4)20-10-12-5-7-13(19)8-6-12/h5-8,14-15,20H,9-11H2,1-4H3/t14-,15-/m0/s1
InChIKey
BPYVRAWLYXUOPH-GJZGRUSLSA-N
Canonic Smiles
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)NCc1ccc(cc1)F
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C[C@@H](C1)NCc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20521367
LogD (pH = 7.4)
1.5246555
Log P
2.3771217
Molar Refractivity
90.4075
Polarizability
35.60648
Polar Surface Area
67.87
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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