767310-42-9
4-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05720889
【English Synonyms】
【Formula】
C23 H27 N3 O4 S
【MolWeight】
441.549
【Inchi】
InChI=1S/C23H27N3O4S/c1-28-20-13-10-17(14-21(20)29-2)22(27)30-19-11-8-16(9-12-19)15-24-26-23(31)25-18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,25,26,31)/b24-15+
【InChIKey】
InChIKey=LFWCQNOTFHKIKZ-BUVRLJJBSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=S)NC3CCCCC3
【MOL File】
4-(2-((CYCLOHEXYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml