ChemSpider 2D Image | N-Benzyl-N~2~-(3-methoxypropyl)-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-[(5-methyl-2-thienyl)methyl]glycinamide | C27H33N3O3S2

N-Benzyl-N2-(3-methoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-[(5-methyl-2-thienyl)methyl]glycinamide

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID3183981

More details:

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

Acetamide, 2-[(3-methoxypropyl)[[[4-(methylthio)phenyl]amino]carbonyl]amino]-N-[(5-methyl-2-thienyl)methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N2-(3-methoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-[(5-methyl-2-thienyl)methyl]glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-(3-methoxypropyl)-N2-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-[(5-methyl-2-thienyl)methyl]glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-(3-méthoxypropyl)-N2-{[4-(méthylsulfanyl)phényl]carbamoyl}-N-[(5-méthyl-2-thiényl)méthyl]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: 721.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1391.85
ACD/KOC (pH 5.5): 6191.31
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1391.84
ACD/KOC (pH 7.4): 6191.24
Polar Surface Area: 115 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 411.6±5.0 cm3

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