769156-09-4
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154355
【English Synonyms】
【Formula】
C28 H36 Br N3 O4
【MolWeight】
558.513
【Inchi】
InChI=1S/C28H36BrN3O4/c1-2-3-4-5-6-7-8-9-10-15-26(33)30-21-27(34)32-31-20-22-16-18-23(19-17-22)36-28(35)24-13-11-12-14-25(24)29/h11-14,16-20H,2-10,15,21H2,1H3,(H,30,33)(H,32,34)/b31-20+
【InChIKey】
InChIKey=VZUVRHNXHWOGSY-AJBULDERSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccccc2Br
【MOL File】
4-(2-((DODECANOYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml