ChemSpider 2D Image | N-(3-{[2-(4-Chlorophenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]amino}-4-methylphenyl)acetamide | C30H36ClN7O2

N-(3-{[2-(4-Chlorophenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]amino}-4-methylphenyl)acetamide

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121528956

More details:

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

Acetamide, N-[3-[[2-(4-chlorophenyl)-6-[4-[1-oxo-3-(1-pyrrolidinyl)propyl]-1-piperazinyl]-4-pyrimidinyl]amino]-4-methylphenyl]- [ACD/Index Name]
N-(3-{[2-(4-Chlorophenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]amino}-4-methylphenyl)acetamide [ACD/IUPAC Name]
N-(3-{[2-(4-Chlorophényl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-pipérazinyl}-4-pyrimidinyl]amino}-4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
N-(3-{[2-(4-Chlorphenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]amino}-4-methylphenyl)acetamid [German] [ACD/IUPAC 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: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 94 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 435.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement