769150-49-4
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153955
【English Synonyms】
【Formula】
C29 H38 Br N3 O5
【MolWeight】
588.539
【Inchi】
InChI=1S/C29H38BrN3O5/c1-3-4-5-6-7-8-9-10-11-12-27(34)31-21-28(35)33-32-20-23-19-24(30)15-18-26(23)38-29(36)22-13-16-25(37-2)17-14-22/h13-20H,3-12,21H2,1-2H3,(H,31,34)(H,33,35)/b32-20+
【InChIKey】
InChIKey=YNAGWSFCYJEXBD-UZWMFBFFSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OC)Br
【MOL File】
4-BROMO-2-(2-((DODEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml