767339-10-6
4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
1Identification
【Name】
4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05153273
【English Synonyms】
【Formula】
C21 H18 N4 O4
【MolWeight】
390.397
【Inchi】
InChI=1S/C21H18N4O4/c1-2-28-17-9-5-16(6-10-17)21(27)29-18-7-3-15(4-8-18)13-24-25-20(26)19-14-22-11-12-23-19/h3-14H,2H2,1H3,(H,25,26)/b24-13+
【InChIKey】
InChIKey=YISUFGATLRYHBO-ZMOGYAJESA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3cnccn3
【MOL File】
4-(2-(2-PYRAZINYLCAR….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-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml