ChemSpider 2D Image | 7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-((4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine | C31H35N7S

7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-((4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC31H35N7S
  • Average mass537.721 Da
  • Monoisotopic mass537.267456 Da
  • ChemSpider ID9759425

More details:

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

1H-3-Benzazepine, 7-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3,4,5-tetrahydro-3-[3-[[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]- [ACD/Index Name]
7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-((4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
7-(1,3-Dimethyl-1H-pyrazol-5-yl)-3-(3-{[4-methyl-5-(2-methyl-5-chinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
7-(1,3-Diméthyl-1H-pyrazol-5-yl)-3-(3-{[4-méthyl-5-(2-méthyl-5-quinoléinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC Name]
7-(1,3-Dimethyl-1H-pyrazol-5-yl)-3-(3-{[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-{[4-methyl-5-(2-methylquinolin-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
1H-3-Benzazepine,7-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3,4,5-tetrahydro-3-[3-[[4-methyl-5-(2-methyl-5-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-
7-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)-2,3,4,5-TETRAHYDRO-3-[3-[[4-METHYL-5-(2-METHYL-5-QUINOLINYL)-4H-1,21H-3-BENZAZEPINE
7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-((4-methyl-5-(2-methylquinolin-5-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
7-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(3-(4-methyl-5-(2-methylquinolin-5-yl)-4H-1,2,4-triazol-3-ylthio)propyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 755.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.8±35.7 °C
Index of Refraction: 1.690
Molar Refractivity: 161.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 40.27
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 601.43
ACD/KOC (pH 7.4): 1357.55
Polar Surface Area: 90 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 422.0±7.0 cm3

Click to predict properties on the Chemicalize site


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