769148-78-9
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154119
【English Synonyms】
【Formula】
C26 H24 Br N3 O5
【MolWeight】
538.396
【Inchi】
InChI=1S/C26H24BrN3O5/c1-3-17-5-10-21(11-6-17)29-24(31)25(32)30-28-16-19-15-20(27)9-14-23(19)35-26(33)18-7-12-22(13-8-18)34-4-2/h5-16H,3-4H2,1-2H3,(H,29,31)(H,30,32)/b28-16+
【InChIKey】
InChIKey=LCTUKCZVWRZDFY-LQKURTRISA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OCC)Br
【MOL File】
4-BR-2-(2-((4-ETHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml