769152-70-7
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153510
【English Synonyms】
【Formula】
C25 H22 Br N3 O4
【MolWeight】
508.37
【Inchi】
InChI=1S/C25H22BrN3O4/c1-3-17-7-10-21(11-8-17)28-23(30)24(31)29-27-15-19-14-20(26)9-12-22(19)33-25(32)18-6-4-5-16(2)13-18/h4-15H,3H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
【InChIKey】
InChIKey=HRUQOYLVZOJQNR-JFLMPSFJSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3cccc(c3)C)Br
【MOL File】
4-BR-2-(2-((4-ETHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml