767335-90-0
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153292
【English Synonyms】
【Formula】
C27 H35 N3 O4
【MolWeight】
465.591
【Inchi】
InChI=1S/C27H35N3O4/c1-3-4-5-6-7-8-9-13-25(31)28-20-26(32)30-29-19-22-14-16-24(17-15-22)34-27(33)23-12-10-11-21(2)18-23/h10-12,14-19H,3-9,13,20H2,1-2H3,(H,28,31)(H,30,32)/b29-19+
【InChIKey】
InChIKey=QEPDTOZUUGXNAB-VUTHCHCSSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2cccc(c2)C
【MOL File】
4-(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
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml