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ChemSpider 2D Image | 2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-[3-(phenoxymethyl)phenyl]acetamide | C21H21N3O2S

2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-[3-(phenoxymethyl)phenyl]acetamide

  • Molecular FormulaC21H21N3O2S
  • Average mass379.475 Da
  • Monoisotopic mass379.135437 Da
  • ChemSpider ID70339983

More details:






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

2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-[3-(phenoxymethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-[3-(phenoxymethyl)phenyl]acetamide [ACD/IUPAC Name]
2-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]-N-[3-(phénoxyméthyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[3-(phenoxymethyl)phenyl]- [ACD/Index Name]
2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(3-(phenoxymethyl)phenyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1034.30
ACD/KOC (pH 5.5): 5005.84
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.34
ACD/KOC (pH 7.4): 5006.05
Polar Surface Area: 89 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

Click to predict properties on the Chemicalize site






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