Molecule

ID:66055

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₄O₂
Molecular Mass
316.39806
Exact Mass
316.18992603
Charge
0
InChI
InChI=1S/C17H24N4O2/c1-12-19-15-14(6-5-9-18-15)21(12)13-7-10-20(11-8-13)16(22)23-17(2,3)4/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKey
SRMOLHUEKZRXBU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)n1c(C)nc2c1cccn2)OC(C)(C)C
Isomeric Smiles
n1c(n(c2c1nccc2)C1CCN(C(=O)OC(C)(C)C)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6331152
LogD (pH = 7.4)
1.640434
Log P
1.6405282
Molar Refractivity
88.8733
Polarizability
34.44512
Polar Surface Area
60.25
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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