ChemSpider 2D Image | 5-{[(4S)-4-Hydroxy-1,2-oxazolidin-2-yl]carbonyl}-1-isobutyl-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione | C24H28N6O5S

5-{[(4S)-4-Hydroxy-1,2-oxazolidin-2-yl]carbonyl}-1-isobutyl-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID8317887

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-{[(4S)-4-Hydroxy-1,2-oxazolidin-2-yl]carbonyl}-1-isobutyl-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}thieno[2,3-d]pyrimidin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
5-{[(4S)-4-Hydroxy-1,2-oxazolidin-2-yl]carbonyl}-1-isobutyl-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione [ACD/IUPAC Name]
5-{[(4S)-4-Hydroxy-1,2-oxazolidin-2-yl]carbonyl}-1-isobutyl-3-méthyl-6-{[2-(méthylamino)-1H-benzimidazol-1-yl]méthyl}thiéno[2,3-d]pyrimidine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-[[(4S)-4-hydroxy-2-isoxazolidinyl]carbonyl]-3-methyl-6-[[2-(methylamino)-1H-benzimidazol-1-yl]methyl]-1-(2-methylpropyl)- [ACD/Index Name]
5-{[(4S)-4-hydroxyisoxazolidin-2-yl]carbonyl}-1-isobutyl-3-methyl-6-{[2-(methylamino)-1H-benzimidazol-1-yl]methyl}thieno-[2,3-d]pyrimidine-2,4(1H,3 H)-dione
Thienopyrimidine-2,4-dione, 12

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

Density: 1.5±0.1 g/cm3
Boiling Point: 789.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.4±35.7 °C
Index of Refraction: 1.733
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 42.79
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.23
ACD/KOC (pH 7.4): 181.69
Polar Surface Area: 148 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 335.1±7.0 cm3

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