N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
Bezeichnung:N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
CAS-Nr302964-08-5
Englisch Name:N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
CBNumberCB51473109
SummenformelC16H13Cl2N5OS
Molgewicht394.28
MOL-Datei302964-08-5.mol
N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide physikalisch-chemischer Eigenschaften
Schmelzpunkt | 333-335°C |
Siedepunkt | 566.95° C (Predicted) |
Dichte | 1.516±0.06 g/cm3(Predicted) |
Brechungsindex | n20D 1.72 (Predicted) |
storage temp. | Inert atmosphere,2-8°C |
Löslichkeit | DMSO (Slightly) |
pka | 10.92±0.70(Predicted) |
Aggregatzustand | Solid |
Farbe | Pale Yellow |
Wasserlöslichkeit | Slightly soluble in water |
InChI | InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22) |
InChIKey | LMXUWARKUIELGT-UHFFFAOYSA-N |
SMILES | S1C(C(NC2=C(C)C=CC=C2Cl)=O)=CN=C1NC1C=C(Cl)N=C(C)N=1 |
CAS Datenbank | 302964-08-5(CAS DataBase Reference) |