767289-05-4
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153895
【English Synonyms】
【Formula】
C20 H15 Br N4 O4
【MolWeight】
455.267
【Inchi】
InChI=1S/C20H15BrN4O4/c1-28-16-5-2-13(3-6-16)20(27)29-18-7-4-15(21)10-14(18)11-24-25-19(26)17-12-22-8-9-23-17/h2-12H,1H3,(H,25,26)/b24-11+
【InChIKey】
InChIKey=WKTZPHWBYVLWER-BHGWPJFGSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cnccn3)Br
【MOL File】
4-BROMO-2-(2-(2-PYRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml