769151-22-6
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
Name4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153835
【English Synonyms】
【Formula】
C29 H39 N3 O6
【MolWeight】
525.642
【Inchi】
InChI=1S/C29H39N3O6/c1-4-6-7-8-9-10-11-12-27(33)30-21-28(34)32-31-20-22-13-18-25(26(19-22)37-5-2)38-29(35)23-14-16-24(36-3)17-15-23/h13-20H,4-12,21H2,1-3H3,(H,30,33)(H,32,34)/b31-20+
【InChIKey】
InChIKey=XATDCNSIMHYUDT-AJBULDERSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OCC)OC(=O)c2ccc(cc2)OC
【MOL File】
4-(2-((DECANOYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE.cml