769151-09-9
1-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
1-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153850
【English Synonyms】
【Formula】
C32 H37 Cl2 N3 O4
【MolWeight】
598.567
【Inchi】
InChI=1S/C32H37Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-15-30(38)35-22-31(39)37-36-21-27-25-14-12-11-13-23(25)16-19-29(27)41-32(40)26-18-17-24(33)20-28(26)34/h11-14,16-21H,2-10,15,22H2,1H3,(H,35,38)(H,37,39)/b36-21+
【InChIKey】
InChIKey=TXTZVBYBCZQDSV-QLQYKETESA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c2ccccc2ccc1OC(=O)c3ccc(cc3Cl)Cl
【MOL File】
1-(2-((DODECANOYLAMI….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
1-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml