769153-84-6
1-(2-(3-METHYLBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-(3-METHYLBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-(3-METHYLBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153375
【English Synonyms】
【Formula】
C27 H22 N2 O4
【MolWeight】
438.481
【Inchi】
InChI=1S/C27H22N2O4/c1-18-6-5-8-21(16-18)26(30)29-28-17-24-23-9-4-3-7-19(23)12-15-25(24)33-27(31)20-10-13-22(32-2)14-11-20/h3-17H,1-2H3,(H,29,30)/b28-17+
【InChIKey】
InChIKey=JPFOWLJMWJPEDZ-OGLMXYFKSA-N
【SMILES】
Cc1cccc(c1)C(=O)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccc(cc4)OC
【MOL File】
1-(2-(3-METHYLBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-METHYLBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml