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Name |
3-(2-(Trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide |
EINECS | 200-258-5 |
CAS No. | 660868-91-7 | Density | 1.455 g/cm3 |
PSA | 116.84000 | LogP | 5.50120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H18F3N3O4S | Boiling Point | 609.118 °C at 760 mmHg |
Molecular Weight | 477.464 | Flash Point | 322.183 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
GW843682, 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide;2-Thiophenecarboxamide, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-; |
Article Data | 2 |
The 3-(2-(Trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide, with the CAS number 660868-91-7 is also called 2-Thiophenecarboxamide, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-. The systematic name is 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide. Its molecular formula is C22H18F3N3O4S. This chemical should be stored at 2-8°C.
The properties of the 3-(2-(Trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 654; (6)ACD/BCF (pH 7.4): 675; (7)ACD/KOC (pH 5.5): 3576; (8)ACD/KOC (pH 7.4): 3686; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 116.84 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 115.27 cm3; (15)Molar Volume: 328.216 cm3; (16)Polarizability: 45.697×10-24cm3; (17)Surface Tension: 46.849 dyne/cm; (18)Enthalpy of Vaporization: 90.487 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1COc4c(sc(n3cnc2cc(OC)c(OC)cc23)c4)C(=O)N
(2)InChI: InChI=1/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
(3)InChIKey: JSKUWFIZUALZLX-UHFFFAOYAM