763126-21-2
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
Name2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
FormulaC22 H19 F3 N2 O3 S
1Identification
【Name】
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD05155036
【English Synonyms】
【Formula】
C22 H19 F3 N2 O3 S
【MolWeight】
448.463
【Inchi】
InChI=1S/C22H19F3N2O3S/c23-22(24,25)30-18-9-5-17(6-10-18)27-21(29)14-31-19-11-7-16(8-12-19)26-13-15-3-1-2-4-20(15)28/h1-12,26,28H,13-14H2,(H,27,29)
【InChIKey】
InChIKey=ISHNQSXEBRLWQM-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CNc2ccc(cc2)SCC(=O)Nc3ccc(cc3)OC(F)(F)F)O
【MOL File】
2-((4-[(2-HYDROXYBEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE.cml