Found 2 results

Search term: GCBVNILXHUQTTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[(4S)-3-Cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide | C22H20N4O4S

2-{[(4S)-3-Cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide

  • Molecular FormulaC22H20N4O4S
  • Average mass436.484 Da
  • Monoisotopic mass436.120514 Da
  • ChemSpider ID62417390

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(4S)-3-Cyan-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[(4S)-3-Cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-{[(4S)-3-Cyano-4-(4-nitrophényl)-6-oxo-1,4,5,6-tétrahydro-2-pyridinyl]sulfanyl}-N-(2,4-diméthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(4S)-3-cyano-1,4,5,6-tetrahydro-4-(4-nitrophenyl)-6-oxo-2-pyridinyl]thio]-N-(2,4-dimethylphenyl)- [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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 775.64
ACD/KOC (pH 5.5): 4073.83
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 775.36
ACD/KOC (pH 7.4): 4072.37
Polar Surface Area: 153 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 314.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement