767333-90-4
1-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
1Identification
【Name】
1-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199609
【English Synonyms】
【Formula】
C27 H22 N2 O4
【MolWeight】
438.481
【Inchi】
InChI=1S/C27H22N2O4/c1-18-8-7-12-21(16-18)27(32)33-24-15-14-19-9-5-6-13-22(19)23(24)17-28-29-26(31)25(30)20-10-3-2-4-11-20/h2-17,25,30H,1H3,(H,29,31)/b28-17+
【InChIKey】
InChIKey=BRZYAYGKRXNVAK-OGLMXYFKSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(c4ccccc4)O
【MOL File】
1-(2-(HYDROXY(PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml