ChemSpider 2D Image | N'-[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]-N-methyl-N-(2-methyl-2-phenylpropyl)-2-propyl-4,6-pyrimidinediamine | C28H36ClN5O3S

N'-[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]-N-methyl-N-(2-methyl-2-phenylpropyl)-2-propyl-4,6-pyrimidinediamine

  • Molecular FormulaC28H36ClN5O3S
  • Average mass558.135 Da
  • Monoisotopic mass557.222717 Da
  • ChemSpider ID121536429

More details:

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

4,6-Pyrimidinediamine, N6-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-N4-methyl-N4-(2-methyl-2-phenylpropyl)-2-propyl- [ACD/Index Name]
N'-[2-Chlor-5-(4-morpholinylsulfonyl)phenyl]-N-methyl-N-(2-methyl-2-phenylpropyl)-2-propyl-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N'-[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]-N-methyl-N-(2-methyl-2-phenylpropyl)-2-propyl-4,6-pyrimidinediamine [ACD/IUPAC Name]
N'-[2-Chloro-5-(4-morpholinylsulfonyl)phényl]-N-méthyl-N-(2-méthyl-2-phénylpropyl)-2-propyl-4,6-pyrimidinediamine [French] [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: 688.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 26158.46
ACD/KOC (pH 5.5): 38636.18
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66026.80
ACD/KOC (pH 7.4): 97521.95
Polar Surface Area: 96 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 438.7±3.0 cm3

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