765276-47-9
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
Name4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05720561
【English Synonyms】
【Formula】
C26 H25 Br N2 O5
【MolWeight】
525.396
【Inchi】
InChI=1S/C26H25BrN2O5/c1-3-15-33-22-12-8-20(9-13-22)26(31)34-23-14-5-18(16-24(23)32-4-2)17-28-29-25(30)19-6-10-21(27)11-7-19/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30)/b28-17+
【InChIKey】
InChIKey=MAUSZRVSOPBGAQ-OGLMXYFKSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE.cml