765305-12-2
1-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
Name1-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
1Identification
【Name】
1-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154418
【English Synonyms】
【Formula】
C25 H19 N3 O3
【MolWeight】
409.443
【Inchi】
InChI=1S/C25H19N3O3/c1-17-8-10-19(11-9-17)25(30)31-23-13-12-18-5-2-3-7-21(18)22(23)16-27-28-24(29)20-6-4-14-26-15-20/h2-16H,1H3,(H,28,29)/b27-16+
【InChIKey】
InChIKey=UNHLMKFVZISRTJ-JVWAILMASA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4cccnc4
【MOL File】
1-(2-(3-PYRIDINYLCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE.cml