Basic Information | Post buying leads | Suppliers |
Name |
XCT 790 |
EINECS | N/A |
CAS No. | 725247-18-7 | Density | 1.544 g/cm3 |
PSA | 125.37000 | LogP | 6.80078 |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H13F9N4O3S | Boiling Point | N/A |
Molecular Weight | 596.4249 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2E)-3-(4-{[2,4-Bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide; 2-Propenamide, 3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-, (2E)- |
The XCT 790, with CAS registry number 725247-18-7, has the systematic name of (2E)-3-(4-{[2,4-bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide. This chemical should be stored at the temperature of 4°C. And the chemical formula of this chemical is C23H13F9N4O3S.
Physical properties of XCT 790: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 116.58 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 123.09 cm3; (9)Molar Volume: 386.2 cm3; (10)Polarizability: 48.79×10-24cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.544 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1nnc(s1)C(F)(F)F)C(\C#N)=C\c3ccc(OCc2ccc(cc2C(F)(F)F)C(F)(F)F)c(OC)c3
(2)InChI: InChI=1/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
(3)InChIKey: HQFNFOOGGLSBBT-AWNIVKPZBQ
(4)Std. InChI: InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
(5)Std. InChIKey: HQFNFOOGGLSBBT-AWNIVKPZSA-N