767289-01-0
3-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
3-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153899
【English Synonyms】
【Formula】
C26 H32 Cl N3 O4
【MolWeight】
486.009
【Inchi】
InChI=1S/C26H32ClN3O4/c1-2-3-4-5-6-7-8-12-24(31)28-19-25(32)30-29-18-20-10-9-11-23(17-20)34-26(33)21-13-15-22(27)16-14-21/h9-11,13-18H,2-8,12,19H2,1H3,(H,28,31)(H,30,32)/b29-18+
【InChIKey】
InChIKey=BHQRQJMNNHQHRM-RDRPBHBLSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(c1)OC(=O)c2ccc(cc2)Cl
【MOL File】
3-(2-((DECANOYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml