769151-74-8
4-BR-2-(2-(((4-PROPOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((4-PROPOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((4-PROPOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153639
【English Synonyms】
【Formula】
C29 H30 Br N3 O6
【MolWeight】
596.475
【Inchi】
InChI=1S/C29H30BrN3O6/c1-3-15-37-24-10-5-20(6-11-24)28(35)31-19-27(34)33-32-18-22-17-23(30)9-14-26(22)39-29(36)21-7-12-25(13-8-21)38-16-4-2/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,35)(H,33,34)/b32-18+
【InChIKey】
InChIKey=WWCDNULYLRHQBH-KCSSXMTESA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OCCC)Br
【MOL File】
4-BR-2-(2-(((4-PROPO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((4-PROPOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml