769151-45-3
4-BR-2-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153676
【English Synonyms】
【Formula】
C27 H26 Br N3 O5
【MolWeight】
552.422
【Inchi】
InChI=1S/C27H26BrN3O5/c1-3-14-35-22-11-8-19(9-12-22)27(34)36-24-13-10-21(28)15-20(24)16-30-31-25(32)17-29-26(33)23-7-5-4-6-18(23)2/h4-13,15-16H,3,14,17H2,1-2H3,(H,29,33)(H,31,32)/b30-16+
【InChIKey】
InChIKey=RWJJUEPAHBBKFB-OKCVXOCRSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccccc3C)Br
【MOL File】
4-BR-2-(2-(((2-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml