Molecule

ID:62587

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₄S
Molecular Mass
330.49084
Exact Mass
330.18781785
Charge
0
InChI
InChI=1S/C18H26N4S/c1-12-13(2)23-18-15(12)17(22-10-8-19-9-11-22)20-16(21-18)14-6-4-3-5-7-14/h14,19H,3-11H2,1-2H3
InChIKey
ZCVPSIGPZXWCGO-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)sc2c1c(nc(n2)C1CCCCC1)N1CCNCC1
Isomeric Smiles
c1(c2c(nc(n1)C1CCCCC1)sc(c2C)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1388986
LogD (pH = 7.4)
3.8024585
Log P
5.1652145
Molar Refractivity
97.4366
Polarizability
37.112682
Polar Surface Area
41.05
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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