769151-02-2
4-(2-((DECANOYLAMINO)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 2,4-DICHLOROBENZOATE
Name4-(2-((DECANOYLAMINO)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
4-(2-((DECANOYLAMINO)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153858
【English Synonyms】
【Formula】
C28 H35 Cl2 N3 O5
【MolWeight】
564.506
【Inchi】
InChI=1S/C28H35Cl2N3O5/c1-3-5-6-7-8-9-10-11-26(34)31-19-27(35)33-32-18-20-12-15-24(25(16-20)37-4-2)38-28(36)22-14-13-21(29)17-23(22)30/h12-18H,3-11,19H2,1-2H3,(H,31,34)(H,33,35)/b32-18+
【InChIKey】
InChIKey=GYOBLSPPJQSSNH-KCSSXMTESA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OCC)OC(=O)c2ccc(cc2Cl)Cl
【MOL File】
4-(2-((DECANOYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DECANOYLAMINO)AC)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 2,4-DICHLOROBENZOATE.cml