593238-87-0
4-CYANO-2-FLUORO-N-[[[3-HYDROXY-4-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-BENZAMIDE
Name4-CYANO-2-FLUORO-N-[[[3-HYDROXY-4-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-BENZAMIDE
1Identification
【Name】
4-CYANO-2-FLUORO-N-[[[3-HYDROXY-4-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-BENZAMIDE
【CAS】
【MDL】
MFCD03922609
【English Synonyms】
【Formula】
C23 H15 F N4 O3 S
【MolWeight】
446.461
【Inchi】
InChI=1S/C23H15FN4O3S/c1-12-2-7-20-18(8-12)27-22(31-20)16-6-4-14(10-19(16)29)26-23(32)28-21(30)15-5-3-13(11-25)9-17(15)24/h2-10,29H,1H3,(H2,26,28,30,32)
【InChIKey】
InChIKey=XDPIFDXABDAELS-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)nc(o2)c3ccc(cc3O)NC(=S)NC(=O)c4ccc(cc4F)C#N
【MOL File】
4-CYANO-2-FLUORO-N-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-2-FLUORO-N-[[[3-HYDROXY-4-(5-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-BENZAMIDE.cml