ChemSpider 2D Image | 1-(4-Methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-propanone | C21H27NOS

1-(4-Methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-propanone

  • Molecular FormulaC21H27NOS
  • Average mass341.510 Da
  • Monoisotopic mass341.181335 Da
  • ChemSpider ID30579420

More details:






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

1-(4-Methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
1-(4-Methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-propanone [ACD/IUPAC Name]
1-(4-Méthyl-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl)-3-[4-(2-méthyl-2-propanyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(6,7-dihydro-4-methylthieno[3,2-c]pyridin-5(4H)-yl)-3-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 501.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7558.35
ACD/KOC (pH 5.5): 20785.89
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7558.36
ACD/KOC (pH 7.4): 20785.91
Polar Surface Area: 49 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

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