Molecule

ID:126770

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₃S
Molecular Mass
323.45514
Exact Mass
323.14561869
Charge
0
InChI
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
InChIKey
SLFGIOIONGJGRT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1
Isomeric Smiles
N#Cc1cc2N(c3c(Sc2cc1)cccc3)CC(C)CN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.90487546
LogD (pH = 7.4)
2.2550392
Log P
4.2663755
Molar Refractivity
99.0895
Polarizability
37.804035
Polar Surface Area
30.27
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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