765913-24-4
2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-PROPOXYBENZOATE
Name2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-PROPOXYBENZOATE
FormulaC24 H22 Br N3 O3 S
1Identification
【Name】
2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154526
【English Synonyms】
【Formula】
C24 H22 Br N3 O3 S
【MolWeight】
512.426
【Inchi】
InChI=1S/C24H22BrN3O3S/c1-2-14-30-21-11-8-17(9-12-21)23(29)31-22-13-10-19(25)15-18(22)16-26-28-24(32)27-20-6-4-3-5-7-20/h3-13,15-16H,2,14H2,1H3,(H2,27,28,32)/b26-16+
【InChIKey】
InChIKey=YTLNMCQSJFKGJK-WGOQTCKBSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=S)Nc3ccccc3)Br
【MOL File】
2-(2-(ANILINOCARBOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-PROPOXYBENZOATE.cml