ChemSpider 2D Image | N-Benzyl-2-[(4-chloro-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-pyrimidinyl)sulfanyl]-N-[2-(dimethylamino)ethyl]acetamide | C28H36ClN5O3S

N-Benzyl-2-[(4-chloro-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-pyrimidinyl)sulfanyl]-N-[2-(dimethylamino)ethyl]acetamide

  • Molecular FormulaC28H36ClN5O3S
  • Average mass558.135 Da
  • Monoisotopic mass557.222717 Da
  • ChemSpider ID4202600

More details:

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

Acetamide, 2-[[4-chloro-6-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-2-pyrimidinyl]thio]-N-[2-(dimethylamino)ethyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-[(4-chlor-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-pyrimidinyl)sulfanyl]-N-[2-(dimethylamino)ethyl]acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[(4-chloro-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-pyrimidinyl)sulfanyl]-N-[2-(dimethylamino)ethyl]acetamide [ACD/IUPAC Name]
N-Benzyl-2-[(4-chloro-6-{[2-(3,4-diméthoxyphényl)éthyl](méthyl)amino}-2-pyrimidinyl)sulfanyl]-N-[2-(diméthylamino)éthyl]acétamide [French] [ACD/IUPAC 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: 703.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.1±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 18.03
ACD/KOC (pH 5.5): 48.37
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 828.65
ACD/KOC (pH 7.4): 2222.91
Polar Surface Area: 96 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 441.4±5.0 cm3

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