767289-35-0
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
Name4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153881
【English Synonyms】
【Formula】
C31 H43 N3 O6
【MolWeight】
553.696
【Inchi】
InChI=1S/C31H43N3O6/c1-4-6-7-8-9-10-11-12-13-14-29(35)32-23-30(36)34-33-22-24-15-20-27(28(21-24)39-5-2)40-31(37)25-16-18-26(38-3)19-17-25/h15-22H,4-14,23H2,1-3H3,(H,32,35)(H,34,36)/b33-22+
【InChIKey】
InChIKey=KNFCOATZMDNYJT-STKMKYKTSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OCC)OC(=O)c2ccc(cc2)OC
【MOL File】
4-(2-((DODECANOYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE.cml