769153-28-8
1-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153443
【English Synonyms】
【Formula】
C31 H37 N3 O5
【MolWeight】
531.649
【Inchi】
InChI=1S/C31H37N3O5/c1-3-4-5-6-7-8-9-14-29(35)32-22-30(36)34-33-21-27-26-13-11-10-12-23(26)17-20-28(27)39-31(37)24-15-18-25(38-2)19-16-24/h10-13,15-21H,3-9,14,22H2,1-2H3,(H,32,35)(H,34,36)/b33-21+
【InChIKey】
InChIKey=VAVRVVFVJHZMGE-QNKGDIEWSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1c2ccccc2ccc1OC(=O)c3ccc(cc3)OC
【MOL File】
1-(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
1-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml