769149-80-6
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC28 H35 Br Cl N3 O4
1Identification
【Name】
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154033
【English Synonyms】
【Formula】
C28 H35 Br Cl N3 O4
【MolWeight】
592.958
【Inchi】
InChI=1S/C28H35BrClN3O4/c1-2-3-4-5-6-7-8-9-10-11-26(34)31-20-27(35)33-32-19-22-18-23(29)14-17-25(22)37-28(36)21-12-15-24(30)16-13-21/h12-19H,2-11,20H2,1H3,(H,31,34)(H,33,35)/b32-19+
【InChIKey】
InChIKey=UWGKZZOAJDUGCG-BIZUNTBRSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)Cl)Br
【MOL File】
4-BROMO-2-(2-((DODEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml