ChemSpider 2D Image | 3-(3,4-Dimethylphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-1-[2-(4-morpholinyl)ethyl]thiourea | C27H38N4OS

3-(3,4-Dimethylphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-1-[2-(4-morpholinyl)ethyl]thiourea

  • Molecular FormulaC27H38N4OS
  • Average mass466.682 Da
  • Monoisotopic mass466.276642 Da
  • ChemSpider ID22473926

More details:

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

3-(3,4-Dimethylphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydro-6-chinolinyl)methyl]-1-[2-(4-morpholinyl)ethyl]thioharnstoff [German] [ACD/IUPAC Name]
3-(3,4-Diméthylphényl)-1-[(1-éthyl-1,2,3,4-tétrahydro-6-quinoléinyl)méthyl]-1-[2-(4-morpholinyl)éthyl]thiourée [French] [ACD/IUPAC Name]
3-(3,4-Dimethylphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-1-[2-(4-morpholinyl)ethyl]thiourea [ACD/IUPAC Name]
Thiourea, N'-(3,4-dimethylphenyl)-N-[(1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N'-(3,4-dimethylphenyl)-N-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-N-(2-morpholin-4-ylethyl)thiourea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.5±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 46.57
ACD/KOC (pH 5.5): 189.18
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1665.96
ACD/KOC (pH 7.4): 6767.54
Polar Surface Area: 63 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement