xav-939

 The CAS register number of XAV939 is 284028-89-3. The systematic name about this chemical is 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-on. The molecular formula about this chemical is C₁₄H₁₁F₃N₂OS and the molecular weight is 312.309349.

Physical properties about XAV939 are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 2.99; (3)ACD/LogD (pH 7.4): 2.99; (4)ACD/BCF (pH 5.5): 109.33; (5)ACD/BCF (pH 7.4): 109.33; (6)ACD/KOC (pH 5.5): 1002.15; (7)ACD/KOC (pH 7.4): 1002.15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.97 Å²; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 74.33 cm³; (14)Molar Volume: 207.7 cm³; (15)Polarizability: 29.46x10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.5 g/cm³; (18)Flash Point: 213.4 °C; (19)Enthalpy of Vaporization: 68.46 kJ/mol; (20)Boiling Point: 429.3 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and irritating to eyes. Besides, chemicals that at low levels cause damage to health. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store this chemical, please store in room temperature.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3ccc(C\1=N\C(=O)\C2=C(/N/1)CCSC2)cc3
(2)InChI: InChI=1/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
(3)InChIKey: KLGQSVMIPOVQAX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
(5)Std. InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N