ChemSpider 2D Image | 4-{4-[(1H-Benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)-2-pyrimidinyl}-2-piperazinone | C23H22ClN7O3

4-{4-[(1H-Benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)-2-pyrimidinyl}-2-piperazinone

  • Molecular FormulaC23H22ClN7O3
  • Average mass479.919 Da
  • Monoisotopic mass479.147278 Da
  • ChemSpider ID35033430

More details:

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

2-Piperazinone, 4-[4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)-2-pyrimidinyl]- [ACD/Index Name]
4-{4-[(1H-Benzimidazol-2-ylmethyl)amino]-6-(2-chlor-4-methoxyphenoxy)-2-pyrimidinyl}-2-piperazinon [German] [ACD/IUPAC Name]
4-{4-[(1H-Benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)-2-pyrimidinyl}-2-piperazinone [ACD/IUPAC Name]
4-{4-[(1H-Benzimidazol-2-ylméthyl)amino]-6-(2-chloro-4-méthoxyphénoxy)-2-pyrimidinyl}-2-pipérazinone [French] [ACD/IUPAC Name]
4-{4-[(1h-Benzimidazol-2-Ylmethyl)amino]-6-(2-Chloro-4-Methoxyphenoxy)pyrimidin-2-Yl}piperazin-2-One
0P5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 164.46
ACD/KOC (pH 5.5): 1134.64
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.54
ACD/KOC (pH 7.4): 2025.19
Polar Surface Area: 117 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 333.0±3.0 cm3

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