ChemSpider 2D Image | N-(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]alanine | C24H27ClN4O2S

N-(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]alanine

  • Molecular FormulaC24H27ClN4O2S
  • Average mass471.015 Da
  • Monoisotopic mass470.154327 Da
  • ChemSpider ID30815250

More details:

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

3-Thiophenepropanoic acid, α-[(6-chloro-3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-2-propyl-4-(1H-pyrazol-4-yl)- [ACD/Index Name]
N-(6-Chlor-3,3-dimethyl-3,4-dihydro-1-isochinolinyl)-3-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]alanin [German] [ACD/IUPAC Name]
N-(6-Chloro-3,3-diméthyl-3,4-dihydro-1-isoquinoléinyl)-3-[2-propyl-4-(1H-pyrazol-4-yl)-3-thiényl]alanine [French] [ACD/IUPAC Name]
N-(6-Chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-[2-propyl-4-(1H-pyrazol-4-yl)-3-thienyl]alanine [ACD/IUPAC 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: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 18.62
ACD/KOC (pH 5.5): 56.59
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 12.65
ACD/KOC (pH 7.4): 38.44
Polar Surface Area: 119 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

Click to predict properties on the Chemicalize site


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