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Benzamide, N-[7-(4-fluorophenyl)-6,7-dihydro-3-(3-methylphenyl)-5-oxo-5H-1,2,4-triazolo[3,4-b][1,3]thiazin-6-yl]-

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Name

Benzamide, N-[7-(4-fluorophenyl)-6,7-dihydro-3-(3-methylphenyl)-5-oxo-5H-1,2,4-triazolo[3,4-b][1,3]thiazin-6-yl]-

EINECS N/A
CAS No. 113056-54-5 Density 1.39 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C25H19FN4O2S Boiling Point N/A
Molecular Weight 458.51 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 113056-54-5 (N-[7-(4-fluorophenyl)-3-(3-methylphenyl)-5-oxo-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-6-yl]benzamide) Hazard Symbols N/A
Synonyms

N/A

 

Benzamide, N-[7-(4-fluorophenyl)-6,7-dihydro-3-(3-methylphenyl)-5-oxo-5H-1,2,4-triazolo[3,4-b][1,3]thiazin-6-yl]- Specification

This chemical is called Benzamide, N-[7-(4-fluorophenyl)-6,7-dihydro-3-(3-methylphenyl)-5-oxo-5H-1,2,4-triazolo[3,4-b][1,3]thiazin-6-yl]-, and its CAS registry number is 113056-54-5. With the molecular formula of C25H19FN4O2S, its molecular weight is 458.51.  Additionally, its IUPAC name is N-[7-(4-fluorophenyl)-3-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-6-yl]benzamide.

Other characteristics of the Benzamide, N-[7-(4-fluorophenyl)-6,7-dihydro-3-(3-methylphenyl)-5-oxo-5H-1,2,4-triazolo[3,4-b][1,3]thiazin-6-yl]- can be summarised as followings: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 93.39 Å2; (7)Index of Refraction: 1.703; (8)Molar Refractivity: 127.33 cm3; (9)Molar Volume: 328.1 cm3; (10)Polarizability: 50.48×10-24cm3; (11)Surface Tension: 54.7 dyne/cm; (12)Density: 1.39 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1ccc(cc1)C4Sc2nnc(n2C(=O)C4NC(=O)c3ccccc3)c5cccc(c5)C
2.InChI: InChI=1/C25H19FN4O2S/c1-15-6-5-9-18(14-15)22-28-29-25-30(22)24(32)20(27-23(31)17-7-3-2-4-8-17)21(33-25)16-10-12-19(26)13-11-16/h2-14,20-21H,1H3,(H,27,31)
3.InChIKey: BSUUTIXYWVXLOZ-UHFFFAOYAG

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