ChemSpider 2D Image | GW-475151 | C19H28N4O5S

GW-475151

  • Molecular FormulaC19H28N4O5S
  • Average mass424.514 Da
  • Monoisotopic mass424.178040 Da
  • ChemSpider ID32700572

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3aR,6aS)-3-Isopropyl-1-(methylsulfonyl)-4-{[2-(1-pyrrolidinylmethyl)-1,3-oxazol-4-yl]carbonyl}hexahydropyrrolo[3,2-b]pyrrol-2(1H)-on [German] [ACD/IUPAC Name]
(3R,3aR,6aS)-3-Isopropyl-1-(methylsulfonyl)-4-{[2-(1-pyrrolidinylmethyl)-1,3-oxazol-4-yl]carbonyl}hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one [ACD/IUPAC Name]
(3R,3aR,6aS)-3-Isopropyl-1-(méthylsulfonyl)-4-{[2-(1-pyrrolidinylméthyl)-1,3-oxazol-4-yl]carbonyl}hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one [French] [ACD/IUPAC Name]
221323-43-9 [RN]
GW-475151
O4007HW00C
Pyrrolo[3,2-b]pyrrol-2(1H)-one, hexahydro-3-(1-methylethyl)-1-(methylsulfonyl)-4-[[2-(1-pyrrolidinylmethyl)-4-oxazolyl]carbonyl]-, (3R,3aR,6aS)- [ACD/Index Name]
UNII:O4007HW00C
UNII-O4007HW00C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.5±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.25
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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