767334-16-7
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
pro_formulaC26 H20 F N3 O2 S
1Identification
【Name】
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199580
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H20 F N3 O2 S
【pro_molWeight】
457.527
【Inchi】
InChI=1S/C26H20FN3O2S/c1-17-5-4-7-19(15-17)25(31)32-24-14-9-18-6-2-3-8-22(18)23(24)16-28-30-26(33)29-21-12-10-20(27)11-13-21/h2-16H,1H3,(H2,29,30,33)/b28-16+
【InChIKey】
InChIKey=HPXVLFLGMDUFPP-LQKURTRISA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc4ccc(cc4)F
【MOL File】
1-(2-((4-FLUOROANILI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml