Molecule

ID:120297

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁N₃O₄
Molecular Mass
367.39844
Exact Mass
367.15320617
Charge
0
InChI
InChI=1S/C20H21N3O4/c1-27-19(25)14-5-7-16(8-6-14)21-20(26)22-10-13-9-15(12-22)17-3-2-4-18(24)23(17)11-13/h2-8,13,15H,9-12H2,1H3,(H,21,26)
InChIKey
GVUPXGQLPMFZGI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
Isomeric Smiles
n12c([C@@H]3CN(C(=O)Nc4ccc(C(=O)OC)cc4)C[C@H](C2)C3)cccc1=O
Calculated Properties
JChem
Acid pKa
12.644361
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2412646
LogD (pH = 7.4)
1.2412623
Log P
1.2412646
Molar Refractivity
103.6513
Polarizability
37.751106
Polar Surface Area
78.95
Rotatable Bonds
3
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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