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CAS No.: | 1194044-20-6 |
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Name: | LY2811376 |
Molecular Structure: | |
Formula: | C15H14F2N4S |
Molecular Weight: | 320.36 |
Synonyms: | (4S)-4-[2,4-Difluoro-5-(5-pyrimidinyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;(S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine; |
Density: | 1.428 g/cm3 |
Boiling Point: | 486.513 °C at 760 mmHg |
Flash Point: | 248.034 °C |
The LY 2811376, with the CAS registry number 1194044-20-6, is also known as (S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine. This chemical's molecular formula is C15H14F2N4S and molecular weight is 320.36. What's more, its systematic name is (4S)-4-[2,4-Difluoro-5-(5-pyrimidinyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
Physical properties of LY 2811376 are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 7.34; (7)ACD/KOC (pH 5.5): 67.42; (8)ACD/KOC (pH 7.4): 144.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.46 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 83.004 cm3; (15)Molar Volume: 224.277 cm3; (16)Polarizability: 32.905×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 248.034 °C; (20)Enthalpy of Vaporization: 75.223 kJ/mol; (21)Boiling Point: 486.513 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3
(2)Std. InChI: InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
(3)Std. InChIKey: MJQMRGWYPNIERM-HNNXBMFYSA-N