764655-74-5
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
Name1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
1Identification
【Name】
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154627
【English Synonyms】
【Formula】
C26 H20 F N3 O2 S
【MolWeight】
457.527
【Inchi】
InChI=1S/C26H20FN3O2S/c1-17-6-8-19(9-7-17)25(31)32-24-15-10-18-4-2-3-5-22(18)23(24)16-28-30-26(33)29-21-13-11-20(27)12-14-21/h2-16H,1H3,(H2,29,30,33)/b28-16+
【InChIKey】
InChIKey=CNZCLOVQHZSFAY-LQKURTRISA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc4ccc(cc4)F
【MOL File】
1-(2-((4-FLUOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE.cml