769149-09-9
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154101
【English Synonyms】
【Formula】
C26 H24 Br N3 O6
【MolWeight】
554.395
【Inchi】
InChI=1S/C26H24BrN3O6/c1-3-14-35-22-9-4-17(5-10-22)26(33)36-23-13-6-19(27)15-18(23)16-28-30-25(32)24(31)29-20-7-11-21(34-2)12-8-20/h4-13,15-16H,3,14H2,1-2H3,(H,29,31)(H,30,32)/b28-16+
【InChIKey】
InChIKey=UNYDLFCGGHHFEP-LQKURTRISA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(cc3)OC)Br
【MOL File】
4-BR-2-(2-((4-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml