Molecule

ID:73250

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂S
Molecular Mass
328.4286
Exact Mass
328.12454889
Charge
0
InChI
InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3
InChIKey
VPHPQNGOVQYUMG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)N(C(=S)Oc1ccc2c(c1)CCCC2)C
Isomeric Smiles
c12c(ccc(c1)OC(=S)N(c1cccc(n1)OC)C)CCCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.5079627
LogD (pH = 7.4)
5.507967
Log P
5.507967
Molar Refractivity
95.8445
Polarizability
36.975636
Polar Surface Area
34.59
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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