767289-47-4
4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC26 H31 Br Cl N3 O4
1Identification
【Name】
4-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153876
【English Synonyms】
【Formula】
C26 H31 Br Cl N3 O4
【MolWeight】
564.905
【Inchi】
InChI=1S/C26H31BrClN3O4/c1-2-3-4-5-6-7-8-13-24(32)29-18-25(33)31-30-17-19-16-20(27)14-15-23(19)35-26(34)21-11-9-10-12-22(21)28/h9-12,14-17H,2-8,13,18H2,1H3,(H,29,32)(H,31,33)/b30-17+
【InChIKey】
InChIKey=JPWAFIMUCNQNFK-OCSSWDANSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)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 2-CHLOROBENZOATE.cml