ChemSpider 2D Image | 2-({4-Chloro-6-[4-(3-methoxybenzoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acetamide | C26H35ClN6O4S

2-({4-Chloro-6-[4-(3-methoxybenzoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acetamide

  • Molecular FormulaC26H35ClN6O4S
  • Average mass563.112 Da
  • Monoisotopic mass562.212891 Da
  • ChemSpider ID4333629

More details:






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

2-({4-Chlor-6-[4-(3-methoxybenzoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acetamid [German] [ACD/IUPAC Name]
2-({4-Chloro-6-[4-(3-methoxybenzoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acetamide [ACD/IUPAC Name]
2-({4-Chloro-6-[4-(3-méthoxybenzoyl)-3-méthyl-1-pipérazinyl]-2-pyrimidinyl}sulfanyl)-N-[3-(4-morpholinyl)propyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 792.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.1±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 18.94
ACD/KOC (pH 7.4): 252.68
Polar Surface Area: 125 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 415.0±5.0 cm3

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