Found 2 results

Search term: YPGUXTXAGZSWJO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S)-2-Amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C24H24N4O5S

(4S)-2-Amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC24H24N4O5S
  • Average mass480.536 Da
  • Monoisotopic mass480.146729 Da
  • ChemSpider ID62476081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-Amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
(4S)-2-Amino-1-(2,4-diméthoxyphényl)-7,7-diméthyl-4-(5-nitro-2-thiényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(4S)-2-Amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-, (4S)- [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: 714.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 515.60
ACD/KOC (pH 5.5): 3030.94
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 521.82
ACD/KOC (pH 7.4): 3067.50
Polar Surface Area: 163 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 340.6±5.0 cm3

Click to predict properties on the Chemicalize site


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