764657-21-8
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154482
【English Synonyms】
【Formula】
C33 H46 Br N3 O5
【MolWeight】
644.646
【Inchi】
InChI=1S/C33H46BrN3O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-31(38)35-25-32(39)37-36-24-27-23-28(34)18-21-30(27)42-33(40)26-16-19-29(20-17-26)41-22-4-2/h16-21,23-24H,3-15,22,25H2,1-2H3,(H,35,38)(H,37,39)/b36-24+
【InChIKey】
InChIKey=ZBQHHULMMAZCDN-XBQJKBNESA-N
【SMILES】
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OCCC)Br
【MOL File】
4-BR-2-(2-((TETRADEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml