769152-22-9
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153569
【English Synonyms】
【Formula】
C27 H21 N3 O4
【MolWeight】
451.48
【Inchi】
InChI=1S/C27H21N3O4/c1-18-6-4-9-21(16-18)27(33)34-22-14-12-19(13-15-22)17-28-30-26(32)25(31)29-24-11-5-8-20-7-2-3-10-23(20)24/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
【InChIKey】
InChIKey=FJNNPAJYPVNHEU-OGLMXYFKSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3cccc4c3cccc4
【MOL File】
4-(2-((1-NAPHTHYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml