ChemSpider 2D Image | (2R)-2-[(4S)-4-(2,4-Dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide | C23H21Cl2FN4O3

(2R)-2-[(4S)-4-(2,4-Dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID62491616

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(4S)-4-(2,4-Dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide [ACD/IUPAC Name]
(2R)-2-[(4S)-4-(2,4-Dichlorophényl)-1-éthyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-fluorophényl)propanamide [French] [ACD/IUPAC Name]
(2R)-2-[(4S)-4-(2,4-Dichlorphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-fluorphenyl)propanamid [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, 4-(2,4-dichlorophenyl)-1-ethyl-N-(2-fluorophenyl)-1,2,3,4,5,7-hexahydro-α-methyl-2,5-dioxo-, (αR,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.98
ACD/KOC (pH 5.5): 1268.62
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.91
ACD/KOC (pH 7.4): 1268.04
Polar Surface Area: 82 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


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