764655-55-2
3-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154647
【English Synonyms】
【Formula】
C27 H28 N2 O5
【MolWeight】
460.527
【Inchi】
InChI=1S/C27H28N2O5/c1-18(2)22-9-8-19(3)25(15-22)33-17-26(30)29-28-16-20-6-5-7-24(14-20)34-27(31)21-10-12-23(32-4)13-11-21/h5-16,18H,17H2,1-4H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=KHHJIHJNBLPROJ-LQKURTRISA-N
【SMILES】
Cc1ccc(cc1OCC(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3)OC)C(C)C
【MOL File】
3-(2-((5-ISOPROPYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml