Molecule
ID:86274
General Information
Molecular Formula
C₂₄H₂₉NS₂
Molecular Mass
395.62376
Exact Mass
395.17414193
Charge
0
InChI
InChI=1S/C24H29NS2/c1-7-16-12-18-19(24(5,6)10-9-23(18,3)4)13-17(16)20-14-27-22(25-20)21-15(2)8-11-26-21/h8,11-14H,7,9-10H2,1-6H3
InChIKey
IOSFTXLJRKVWRC-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c(cc1c1csc(n1)c1sccc1C)C(C)(C)CCC2(C)C
Isomeric Smiles
n1c(c2c(ccs2)C)scc1c1cc2c(cc1CC)C(CCC2(C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.564817
LogD (pH = 7.4)
8.564831
Log P
8.564831
Molar Refractivity
128.2351
Polarizability
47.265057
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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