ChemSpider 2D Image | N,N-Diethyl-3-{[(4-phenoxyphenyl)carbamothioyl]amino}-4-(1-pyrrolidinyl)benzenesulfonamide | C27H32N4O3S2

N,N-Diethyl-3-{[(4-phenoxyphenyl)carbamothioyl]amino}-4-(1-pyrrolidinyl)benzenesulfonamide

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID3586362

More details:

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

Benzenesulfonamide, N,N-diethyl-3-[[[(4-phenoxyphenyl)amino]thioxomethyl]amino]-4-(1-pyrrolidinyl)- [ACD/Index Name]
N,N-Diethyl-3-{[(4-phenoxyphenyl)carbamothioyl]amino}-4-(1-pyrrolidinyl)benzenesulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-3-{[(4-phénoxyphényl)carbamothioyl]amino}-4-(1-pyrrolidinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-3-{[(4-phenoxyphenyl)carbamothioyl]amino}-4-(1-pyrrolidinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
3-[5-(DIETHYLSULFAMOYL)-2-(PYRROLIDIN-1-YL)PHENYL]-1-(4-PHENOXYPHENYL)THIOUREA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2269.06
ACD/KOC (pH 5.5): 8770.34
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2280.68
ACD/KOC (pH 7.4): 8815.27
Polar Surface Area: 114 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

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