765276-49-1
4-(2-(((3-METHYLBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(((3-METHYLBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(((3-METHYLBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720559
【English Synonyms】
【Formula】
C24 H20 Br N3 O4
【MolWeight】
494.343
【Inchi】
InChI=1S/C24H20BrN3O4/c1-16-5-4-6-18(13-16)23(30)26-15-22(29)28-27-14-17-9-11-19(12-10-17)32-24(31)20-7-2-3-8-21(20)25/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
【InChIKey】
InChIKey=RAUHWVJNBQDSJB-MZJWZYIUSA-N
【SMILES】
Cc1cccc(c1)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-(((3-METHYLBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((3-METHYLBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml