593238-53-0
BENZAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-CHLORO-4-FLUORO-
NameBENZAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-CHLORO-4-FLUORO-
FormulaC21 H13 Cl F N3 O3 S
1Identification
【Name】
BENZAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-CHLORO-4-FLUORO-
【CAS】
【MDL】
MFCD03922579
【English Synonyms】
【Formula】
C21 H13 Cl F N3 O3 S
【MolWeight】
441.869
【Inchi】
InChI=1S/C21H13ClFN3O3S/c22-15-9-11(23)5-7-13(15)19(28)26-21(30)24-12-6-8-17(27)14(10-12)20-25-16-3-1-2-4-18(16)29-20/h1-10,27H,(H2,24,26,28,30)
【InChIKey】
InChIKey=PHLQBKBVJCHPBU-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)nc(o2)c3cc(ccc3O)NC(=S)NC(=O)c4ccc(cc4Cl)F
【MOL File】
BENZAMIDE, N-[[[3-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-CHLORO-4-FLUORO-.cml