847054-42-6
N-[4-[(2-AMINO-4,7-DIMETHYL-6-BENZOTHIAZOLYL)OXY]PHENYL]-N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-UREA
Name
N-[4-[(2-AMINO-4,7-DIMETHYL-6-BENZOTHIAZOLYL)OXY]PHENYL]-N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-UREA
Formula
C23 H18 F4 N4 O2 S
MolWeight
490.479
1Identification
【Name】
N-[4-[(2-AMINO-4,7-DIMETHYL-6-BENZOTHIAZOLYL)OXY]PHENYL]-N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-UREA
【CAS】
【MDL】
MFCD16877874
【English Synonyms】
N-[4-[(2-AMINO-4,7-DIMETHYL-6-BENZOTHIAZOLYL)OXY]PHENYL]-N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-UREA
【Formula】
C23 H18 F4 N4 O2 S
【MolWeight】
490.479
【Inchi】
InChI=1S/C23H18F4N4O2S/c1-11-9-18(12(2)20-19(11)30-21(28)34-20)33-15-6-4-14(5-7-15)31(22(29)32)17-10-13(23(25,26)27)3-8-16(17)24/h3-10H,1-2H3,(H2,28,30)(H2,29,32)
【InChIKey】
InChIKey=PEUSPMKPELWRCN-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c2c1nc(s2)N)C)Oc3ccc(cc3)N(c4cc(ccc4F)C(F)(F)F)C(=O)N
【MOL File】
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
N-[4-[(2-AMINO-4,7-DIMETHYL-6-BENZOTHIAZOLYL)OXY]PHENYL]-N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-UREA.cml
Quick Release
2-AMINO-5,7-DIFLUOROBENZOTHIAZOLE
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2-BENZOTHIAZOLECARBONITRILE, 7-CHLORO-6-HYDROXY-
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791594-34-8
2,5,7-TRICHLOROBENZOTHIAZOLE
898747-75-6
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