Molecule

ID:26607

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂OS
Molecular Mass
306.46614
Exact Mass
306.17658446
Charge
0
InChI
InChI=1S/C17H26N2OS/c1-4-17(2,3)10-5-8-12-13(9-10)21-15(18)14(12)16(20)19-11-6-7-11/h10-11H,4-9,18H2,1-3H3,(H,19,20)
InChIKey
UBOLKCLLCGIVCA-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc(c2C(=O)NC1CC1)N)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)NC1CC1
Calculated Properties
JChem
Acid pKa
15.942837
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.628553
LogD (pH = 7.4)
4.628555
Log P
4.628555
Molar Refractivity
88.405
Polarizability
33.435875
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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