769148-90-5
2-ETHOXY-4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name2-ETHOXY-4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-ETHOXY-4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154111
【English Synonyms】
【Formula】
C22 H20 N4 O5
【MolWeight】
420.423
【Inchi】
InChI=1S/C22H20N4O5/c1-3-30-20-12-15(13-25-26-21(27)18-14-23-10-11-24-18)4-9-19(20)31-22(28)16-5-7-17(29-2)8-6-16/h4-14H,3H2,1-2H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=SBBMGHLBPBULDF-DHRITJCHSA-N
【SMILES】
CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)/C=N/NC(=O)c3cnccn3
【MOL File】
2-ETHOXY-4-(2-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHOXY-4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml