ChemSpider 2D Image | 1-{[3-Benzyl-2-(benzylsulfonyl)-4-imidazolidinyl]methyl}-3-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea | C32H41N5O4S2

1-{[3-Benzyl-2-(benzylsulfonyl)-4-imidazolidinyl]methyl}-3-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea

  • Molecular FormulaC32H41N5O4S2
  • Average mass623.829 Da
  • Monoisotopic mass623.260010 Da
  • ChemSpider ID110232200

More details:

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

1-{[3-Benzyl-2-(benzylsulfonyl)-4-imidazolidinyl]methyl}-3-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thioharnstoff [German] [ACD/IUPAC Name]
1-{[3-Benzyl-2-(benzylsulfonyl)-4-imidazolidinyl]methyl}-3-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea [ACD/IUPAC Name]
1-{[3-Benzyl-2-(benzylsulfonyl)-4-imidazolidinyl]méthyl}-3-(4-méthoxyphényl)-1-[2-(4-morpholinyl)éthyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N'-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-N-[[3-(phenylmethyl)-2-[(phenylmethyl)sulfonyl]-4-imidazolidinyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.8±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 8.64
ACD/KOC (pH 5.5): 88.66
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 68.74
ACD/KOC (pH 7.4): 705.11
Polar Surface Area: 127 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 469.5±5.0 cm3

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