ACT-132577 Structure

ACT-132577

Chemical Properties

Melting point 139-141°C
Boiling point 705.0±70.0 °C(Predicted)
Density  1.841±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
form  Solid
pka 13.56±0.60(Predicted)
color  White to Off-White
InChI InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)
InChIKey DKULOVKANLVDEA-UHFFFAOYSA-N
SMILES S(NC1C(C2=CC=C(Br)C=C2)=C(OCCOC2=NC=C(Br)C=N2)N=CN=1)(N)(=O)=O
FDA UNII MZI81HV01P

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