767339-39-9
4-BR-2-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
Name4-BR-2-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
FormulaC26 H23 Br Cl N3 O5
1Identification
【Name】
4-BR-2-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05151983
【English Synonyms】
【Formula】
C26 H23 Br Cl N3 O5
【MolWeight】
572.841
【Inchi】
InChI=1S/C26H23BrClN3O5/c1-3-12-35-21-9-5-17(6-10-21)26(34)36-23-11-7-19(27)13-18(23)15-29-31-25(33)24(32)30-20-8-4-16(2)22(28)14-20/h4-11,13-15H,3,12H2,1-2H3,(H,30,32)(H,31,33)/b29-15+
【InChIKey】
InChIKey=DWTUMNSPJHKCQS-WKULSOCRSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(c(c3)Cl)C)Br
【MOL File】
4-BR-2-(2-((3-CL-4-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-PROPOXYBENZOATE.cml