ChemSpider 2D Image | (4R)-2-(2,2-Dimethylpropyl)-7-[5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-[(2-methoxyethoxy)methyl]-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione | C26H31FN4O5S

(4R)-2-(2,2-Dimethylpropyl)-7-[5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-[(2-methoxyethoxy)methyl]-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID34534878

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-2-(2,2-Dimethylpropyl)-7-[5-(4-fluorbenzyl)-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-[(2-methoxyethoxy)methyl]-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-1,8-dion [German] [ACD/IUPAC Name]
(4R)-2-(2,2-Dimethylpropyl)-7-[5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-[(2-methoxyethoxy)methyl]-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione [ACD/IUPAC Name]
(4R)-2-(2,2-Diméthylpropyl)-7-[5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-[(2-méthoxyéthoxy)méthyl]-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione [French] [ACD/IUPAC Name]
2H-Pyrido[1,2-a]pyrazine-1,8-dione, 2-(2,2-dimethylpropyl)-7-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dihydro-9-hydroxy-4-[(2-methoxyethoxy)methyl]-, (4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 677.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 26.36
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 388.1±5.0 cm3

Click to predict properties on the Chemicalize site


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