Molecule

ID:26515

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃OS
Molecular Mass
291.41174
Exact Mass
291.14053331
Charge
0
InChI
InChI=1S/C15H21N3OS/c1-8-17-13-12(14(19)18(8)16)10-6-5-9(15(2,3)4)7-11(10)20-13/h9H,5-7,16H2,1-4H3
InChIKey
IZMZLEDEZDKPJV-UHFFFAOYSA-N
Canonic Smiles
Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc1c2CCC(C1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3258128
LogD (pH = 7.4)
3.3267386
Log P
3.3267503
Molar Refractivity
83.7333
Polarizability
30.780128
Polar Surface Area
58.69
Rotatable Bonds
1
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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