1057249-41-8

Name N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea
CAS 1057249-41-8
Molecular Formula C18H15ClN6OS2
MDL Number MFCD16619388
Molecular Weight 430.93
MOL File 1057249-41-8.mol
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Chemical Properties

density  1.588
storage temp.  Store at -20°C
solubility  DMSO: 100 mg/mL (232.06 mM);Ethanol: Insoluble
pka 6.12±0.70(Predicted)
Water Solubility  Water: Insoluble
InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
InChIKey FAYAUAZLLLJJGH-UHFFFAOYSA-N
SMILES N(C1=CC=CC(Cl)=C1)C(NC1=NC=C(CCNC2N=CN=C3C=CSC3=2)S1)=O

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