767332-56-9
3-(BENZYLOXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
Name3-(BENZYLOXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
3-(BENZYLOXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199652
【English Synonyms】
【Formula】
C21 H18 F N3 O S
【MolWeight】
379.457
【Inchi】
InChI=1S/C21H18FN3OS/c22-18-9-11-19(12-10-18)24-21(27)25-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H2,24,25,27)/b23-14+
【InChIKey】
InChIKey=WMJLZPRSHBQMKV-OEAKJJBVSA-N
【SMILES】
c1ccc(cc1)COc2cccc(c2)/C=N/NC(=S)Nc3ccc(cc3)F
【MOL File】
3-(BENZYLOXY)BENZALD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(BENZYLOXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE.cml