764655-52-9
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC30 H39 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154650
【English Synonyms】
【Formula】
C30 H39 Br Cl N3 O4
【MolWeight】
621.012
【Inchi】
InChI=1S/C30H39BrClN3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-28(36)33-22-29(37)35-34-21-23-20-24(31)18-19-27(23)39-30(38)25-15-13-14-16-26(25)32/h13-16,18-21H,2-12,17,22H2,1H3,(H,33,36)(H,35,37)/b34-21+
【InChIKey】
InChIKey=UOMPVMFKKGHHCW-KEIPNQJHSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)Br
【MOL File】
4-BR-2-(2-((TETRADEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml