ChemSpider 2D Image | 2-{(2R)-4-[2-(1H-Imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-isobutyryl-2-piperazinyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide | C27H35N7O3

2-{(2R)-4-[2-(1H-Imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-isobutyryl-2-piperazinyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide

  • Molecular FormulaC27H35N7O3
  • Average mass505.612 Da
  • Monoisotopic mass505.280151 Da
  • ChemSpider ID25058055
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-{(2R)-4-[2-(1H-Imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-isobutyryl-2-piperazinyl}-N-[2-(4-methoxyphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-{(2R)-4-[2-(1H-Imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-isobutyryl-2-piperazinyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-{(2R)-4-[2-(1H-Imidazol-1-yl)-6-méthyl-4-pyrimidinyl]-1-isobutyryl-2-pipérazinyl}-N-[2-(4-méthoxyphényl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-{(2R)-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
2-Piperazineacetamide, 4-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-1-(2-methyl-1-oxopropyl)-, (2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.87
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 120.35
Polar Surface Area: 105 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 401.4±7.0 cm3

Click to predict properties on the Chemicalize site






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