ChemSpider 2D Image | 2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-(4-methoxyphenylamino)-2-oxo-1-p-tolylethyl)-N-(pyridin-3-ylmethyl)acetamide | C30H31N5O3S

2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-(4-methoxyphenylamino)-2-oxo-1-p-tolylethyl)-N-(pyridin-3-ylmethyl)acetamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID2759715

More details:

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

2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-(4-methoxyphenylamino)-2-oxo-1-p-tolylethyl)-N-(pyridin-3-ylmethyl)acetamide
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
2-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]-N-{2-[(4-méthoxyphényl)amino]-1-(4-méthylphényl)-2-oxoéthyl}-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl](3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)-4-methyl- [ACD/Index Name]
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-(pyridin-3-ylmethyl)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: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 953.04
ACD/KOC (pH 5.5): 4648.14
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1006.03
ACD/KOC (pH 7.4): 4906.57
Polar Surface Area: 123 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 419.4±5.0 cm3

Click to predict properties on the Chemicalize site


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