764667-70-1
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-CYCLOHEXYLTHIOSEMICARBAZONE
Name4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-CYCLOHEXYLTHIOSEMICARBAZONE
FormulaC23 H28 Cl N3 O2 S
1Identification
【Name】
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-CYCLOHEXYLTHIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06200190
【English Synonyms】
【Formula】
C23 H28 Cl N3 O2 S
【MolWeight】
446.012
【Inchi】
InChI=1S/C23H28ClN3O2S/c1-2-28-22-14-18(15-25-27-23(30)26-20-6-4-3-5-7-20)10-13-21(22)29-16-17-8-11-19(24)12-9-17/h8-15,20H,2-7,16H2,1H3,(H2,26,27,30)/b25-15+
【InChIKey】
InChIKey=LQPKZQRNFWFWJT-MFKUBSTISA-N
【SMILES】
CCOc1cc(ccc1OCc2ccc(cc2)Cl)/C=N/NC(=S)NC3CCCCC3
【MOL File】
4-((4-CHLOROBENZYL)O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-CYCLOHEXYLTHIOSEMICARBAZONE.cml