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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 | Hazard Symbols | N/A | |
Synonyms |
N/A |
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