ChemSpider 2D Image | N-Benzyl-N~2~-(3-ethoxypropyl)-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(2-thienylmethyl)glycinamide | C27H33N3O3S2

N-Benzyl-N2-(3-ethoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(2-thienylmethyl)glycinamide

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID3467213

More details:

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

Acetamide, 2-[(3-ethoxypropyl)[[[4-(methylthio)phenyl]amino]carbonyl]amino]-N-(phenylmethyl)-N-(2-thienylmethyl)- [ACD/Index Name]
N-Benzyl-N2-(3-ethoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(2-thienylmethyl)glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-(3-ethoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(2-thienylmethyl)glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-(3-éthoxypropyl)-N2-{[4-(méthylsulfanyl)phényl]carbamoyl}-N-(2-thiénylméthyl)glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2682.85
ACD/KOC (pH 5.5): 9903.39
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2682.82
ACD/KOC (pH 7.4): 9903.28
Polar Surface Area: 115 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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