ChemSpider 2D Image | 4-[({4-(Methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide | C30H37N5O4S

4-[({4-(Methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide

  • Molecular FormulaC30H37N5O4S
  • Average mass563.711 Da
  • Monoisotopic mass563.256653 Da
  • ChemSpider ID21565124

More details:

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

4-[({4-(Methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-N-(tetrahydro-2-furanylmethyl)benzamid [German] [ACD/IUPAC Name]
4-[({4-(Methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide [ACD/IUPAC Name]
4-[({4-(Méthoxyméthyl)-6-[4-(4-méthoxyphényl)-1-pipérazinyl]-2-pyrimidinyl}sulfanyl)méthyl]-N-(tétrahydro-2-furanylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[[4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index 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: 797.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.9±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 89.79
ACD/KOC (pH 5.5): 635.43
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.49
ACD/KOC (pH 7.4): 1878.81
Polar Surface Area: 114 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 432.4±5.0 cm3

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