ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-5-[({4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-2-furamide | C27H36N6O3S

N-[2-(Dimethylamino)ethyl]-5-[({4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-2-furamide

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID21563092

More details:

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

2-Furancarboxamide, N-[2-(dimethylamino)ethyl]-5-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-5-[({4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-2-furamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-5-[({4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-2-furamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-5-[({4-éthyl-6-[4-(4-méthoxyphényl)-1-pipérazinyl]-2-pyrimidinyl}sulfanyl)méthyl]-2-furamide [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: 736.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.3±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 68.13
ACD/KOC (pH 7.4): 491.57
Polar Surface Area: 112 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

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