ChemSpider 2D Image | 2-(cyclohex-3-enyl)-N-(2,4-dimethoxyphenyl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)acetamide | C30H35N5O4S

2-(cyclohex-3-enyl)-N-(2,4-dimethoxyphenyl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)acetamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID2843337

More details:

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

2-(cyclohex-3-enyl)-N-(2,4-dimethoxyphenyl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)acetamide
3-Cyclohexene-1-acetamide, N-(2,4-dimethoxyphenyl)-α-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl](3-pyridinylmethyl)amino]- [ACD/Index Name]
N-{1-(3-Cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
N-{1-(3-Cyclohexen-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
N-{1-(3-Cyclohexén-1-yl)-2-[(2,4-diméthoxyphényl)amino]-2-oxoéthyl}-2-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
N-{1-(cyclohex-3-en-1-yl)-2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-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: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1055.91
ACD/KOC (pH 5.5): 5006.95
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1110.78
ACD/KOC (pH 7.4): 5267.12
Polar Surface Area: 132 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 438.7±5.0 cm3

Click to predict properties on the Chemicalize site


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