593238-41-6
2-(4-CHLORO-2-METHYLPHENOXY)-N-[[[4-HYDROXY-3-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-ACETAMIDE
Name2-(4-CHLORO-2-METHYLPHENOXY)-N-[[[4-HYDROXY-3-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-ACETAMIDE
FormulaC24 H20 Cl N3 O4 S
1Identification
【Name】
2-(4-CHLORO-2-METHYLPHENOXY)-N-[[[4-HYDROXY-3-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-ACETAMIDE
【CAS】
【MDL】
MFCD03922567
【English Synonyms】
【Formula】
C24 H20 Cl N3 O4 S
【MolWeight】
481.958
【Inchi】
InChI=1S/C24H20ClN3O4S/c1-13-3-7-21-18(9-13)27-23(32-21)17-11-16(5-6-19(17)29)26-24(33)28-22(30)12-31-20-8-4-15(25)10-14(20)2/h3-11,29H,12H2,1-2H3,(H2,26,28,30,33)
【InChIKey】
InChIKey=PZRPAKMDVBWTBH-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)nc(o2)c3cc(ccc3O)NC(=S)NC(=O)COc4ccc(cc4C)Cl
【MOL File】
2-(4-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLORO-2-METHYLPHENOXY)-N-[[[4-HYDROXY-3-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-ACETAMIDE.cml