593238-40-5
ACETAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-(4-CHLORO-2-METHYLPHENOXY)-
NameACETAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-(4-CHLORO-2-METHYLPHENOXY)-
FormulaC23 H18 Cl N3 O4 S
1Identification
【Name】
ACETAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-(4-CHLORO-2-METHYLPHENOXY)-
【CAS】
【MDL】
MFCD03922566
【English Synonyms】
【Formula】
C23 H18 Cl N3 O4 S
【MolWeight】
467.931
【Inchi】
InChI=1S/C23H18ClN3O4S/c1-13-10-14(24)6-9-19(13)30-12-21(29)27-23(32)25-15-7-8-18(28)16(11-15)22-26-17-4-2-3-5-20(17)31-22/h2-11,28H,12H2,1H3,(H2,25,27,29,32)
【InChIKey】
InChIKey=FQIDBJUPCOQFFX-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCC(=O)NC(=S)Nc2ccc(c(c2)c3nc4ccccc4o3)O)Cl
【MOL File】
ACETAMIDE, N-[[[3-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETAMIDE, N-[[[3-(2-BENZOXAZOLYL)-4-HYDROXYPHENYL]AMINO]THIOXOMETHYL]-2-(4-CHLORO-2-METHYLPHENOXY)-.cml