769151-78-2
4-BROMO-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153634
【English Synonyms】
【Formula】
C30 H40 Br N3 O4
【MolWeight】
586.567
【Inchi】
InChI=1S/C30H40BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-28(35)32-23-29(36)34-33-22-25-21-26(31)19-20-27(25)38-30(37)24-16-13-12-14-17-24/h12-14,16-17,19-22H,2-11,15,18,23H2,1H3,(H,32,35)(H,34,36)/b33-22+
【InChIKey】
InChIKey=PUROJWAIVKRGSJ-STKMKYKTSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2)Br
【MOL File】
4-BROMO-2-(2-((TETRA….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-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml