ChemSpider 2D Image | 1-[4-(4-{[3-Amino-6-(2-methyl-2-butanyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl}-1-piperazinyl)phenyl]ethanone | C29H36N4O2S

1-[4-(4-{[3-Amino-6-(2-methyl-2-butanyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl}-1-piperazinyl)phenyl]ethanone

  • Molecular FormulaC29H36N4O2S
  • Average mass504.687 Da
  • Monoisotopic mass504.255890 Da
  • ChemSpider ID32082910

More details:

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

1-[4-(4-{[3-Amino-6-(2-methyl-2-butanyl)-5,6,7,8-tetrahydrothieno[2,3-b]chinolin-2-yl]carbonyl}-1-piperazinyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(4-{[3-Amino-6-(2-méthyl-2-butanyl)-5,6,7,8-tétrahydrothiéno[2,3-b]quinoléin-2-yl]carbonyl}-1-pipérazinyl)phényl]éthanone [French] [ACD/IUPAC Name]
1-[4-(4-{[3-Amino-6-(2-methyl-2-butanyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl}-1-piperazinyl)phenyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[[3-amino-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl]-1-piperazinyl]phenyl]- [ACD/Index Name]
1-[4-(4-{[3-amino-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl}piperazin-1-yl)phenyl]ethanone
MFCD28165702
piperazine, 1-(4-acetylphenyl)-4-[[3-amino-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]carbonyl]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 971.12
ACD/KOC (pH 5.5): 2781.16
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6103.60
ACD/KOC (pH 7.4): 17479.90
Polar Surface Area: 108 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 410.0±3.0 cm3

Click to predict properties on the Chemicalize site


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