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TDR85302
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NAMES
  • TDR85302
SMILES
O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1
InChI
InChI=1S/C21H24N2O2S2/c24-19(17-9-5-2-6-10-17)15-27-21-23-18(14-26-21)13-20(25)22-12-11-16-7-3-1-4-8-16/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25)
MOLECULAR FORMULA
C21H24N2O2S2
CROSS REFERENCES
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TDR85302

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 400.13
AlogP 4.67
HBond donors 1
HBond acceptors 4
Atoms 51
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TDR85302.