ChemSpider 2D Image | 4-[6-Chloro-2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide | C25H32ClN7O3S

4-[6-Chloro-2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID29232347

More details:

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

1-Piperazinecarboxamide, 4-[6-chloro-2-[[2-[(hexahydro-2-oxo-1H-azepin-3-yl)amino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)- [ACD/Index Name]
4-[6-Chlor-2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[6-Chloro-2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[6-Chloro-2-({2-oxo-2-[(2-oxo-3-azépanyl)amino]éthyl}sulfanyl)-4-pyrimidinyl]-2-méthyl-N-(3-méthylphényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.38
ACD/KOC (pH 5.5): 342.10
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.39
ACD/KOC (pH 7.4): 342.16
Polar Surface Area: 145 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


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