765273-94-7
4-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD02901275
【English Synonyms】
【Formula】
C27 H22 N2 O5
【MolWeight】
454.48
【Inchi】
InChI=1S/C27H22N2O5/c1-32-24-15-12-20(16-25(24)33-2)27(31)34-21-13-10-18(11-14-21)17-28-29-26(30)23-9-5-7-19-6-3-4-8-22(19)23/h3-17H,1-2H3,(H,29,30)/b28-17+
【InChIKey】
InChIKey=CKEFXYXKGUPPHE-OGLMXYFKSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3cccc4c3cccc4
【MOL File】
4-(2-(1-NAPHTHOYL)CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml