Molecule
ID:28312
General Information
Molecular Formula
C₁₉H₁₉N₃O₃
Molecular Mass
337.37246
Exact Mass
337.14264148
Charge
0
InChI
InChI=1S/C19H19N3O3/c1-11-8-12(2)17(13(3)9-11)21-16(23)5-7-22-18(24)14-4-6-20-10-15(14)19(22)25/h4,6,8-10H,5,7H2,1-3H3,(H,21,23)
InChIKey
YXEYHGAXTVXZKC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1c(C)cc(cc1C)C)CCN1C(=O)c2c(C1=O)cncc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccnc2)CCC(=O)Nc1c(cc(cc1C)C)C
Calculated Properties
JChem
Acid pKa
14.863773
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.388893
LogD (pH = 7.4)
2.3889875
Log P
2.3889887
Molar Refractivity
96.2395
Polarizability
34.865826
Polar Surface Area
79.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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