Molecule

ID:72037

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂O₂S
Molecular Mass
292.3965
Exact Mass
292.12454889
Charge
0
InChI
InChI=1S/C15H20N2O2S/c1-11-14(20-15(17-11)19-3)10-16-9-8-12-4-6-13(18-2)7-5-12/h4-7,16H,8-10H2,1-3H3
InChIKey
DPMYTYHVKAVEAM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNCc1sc(nc1C)OC
Isomeric Smiles
n1c(sc(c1C)CNCCc1ccc(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.14811711
LogD (pH = 7.4)
1.3940837
Log P
2.8362389
Molar Refractivity
80.6573
Polarizability
31.478521
Polar Surface Area
43.38
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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