839713-36-9
1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA
Name1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA
FormulaC18 H15 Br F2 N4 O2
1Identification
【Name】
1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA
【CAS】
【MDL】
MFCD16619341
【English Synonyms】
【Formula】
C18 H15 Br F2 N4 O2
【MolWeight】
437.242
【Inchi】
InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
【InChIKey】
InChIKey=COSPVUFTLGQDQL-UHFFFAOYSA-N
【SMILES】
Cn1c(c(cn1)Br)c2cc(ccc2OC)NC(=O)Nc3ccc(cc3F)F
【MOL File】
1-[3-(4-BROMO-1-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA.cml