ChemSpider 2D Image | 1-(6-Ethoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)-3-(2-ethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea | C28H39N3O4S

1-(6-Ethoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)-3-(2-ethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID22473827

More details:

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

1-(6-Ethoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)-3-(2-ethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(6-Ethoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)-3-(2-ethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea [ACD/IUPAC Name]
1-(6-Éthoxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl)-3-(2-éthoxyphényl)-1-[2-(4-morpholinyl)éthyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(6-ethoxy-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)-N'-(2-ethoxyphenyl)-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)-N'-(2-ethoxyphenyl)-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: 608.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 231.46
ACD/KOC (pH 5.5): 1119.16
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 994.13
ACD/KOC (pH 7.4): 4806.78
Polar Surface Area: 88 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

Click to predict properties on the Chemicalize site


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