767289-38-3
4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC26 H31 Br Cl N3 O4
1Identification
【Name】
4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153878
【English Synonyms】
【Formula】
C26 H31 Br Cl N3 O4
【MolWeight】
564.905
【Inchi】
InChI=1S/C26H31BrClN3O4/c1-2-3-4-5-6-7-8-9-24(32)29-18-25(33)31-30-17-20-16-21(27)12-15-23(20)35-26(34)19-10-13-22(28)14-11-19/h10-17H,2-9,18H2,1H3,(H,29,32)(H,31,33)/b30-17+
【InChIKey】
InChIKey=BFGNDGMQKNEBPI-OCSSWDANSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)Cl)Br
【MOL File】
4-BROMO-2-(2-((DECAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml