ChemSpider 2D Image | 7-[(2-{[4-(1,4'-Bipiperidin-1'-yl)-2-methoxyphenyl]amino}-5-chloro-4-pyrimidinyl)amino]-2-methyl-1-isoindolinone | C30H36ClN7O2

7-[(2-{[4-(1,4'-Bipiperidin-1'-yl)-2-methoxyphenyl]amino}-5-chloro-4-pyrimidinyl)amino]-2-methyl-1-isoindolinone

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID9687235

More details:

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

1H-Isoindol-1-one, 7-[[2-[(4-[1,4'-bipiperidin]-1'-yl-2-methoxyphenyl)amino]-5-chloro-4-pyrimidinyl]amino]-2,3-dihydro-2-methyl- [ACD/Index Name]
7-[(2-{[4-(1,4'-Bipiperidin-1'-yl)-2-methoxyphenyl]amino}-5-chlor-4-pyrimidinyl)amino]-2-methyl-1-isoindolinon [German] [ACD/IUPAC Name]
7-[(2-{[4-(1,4'-Bipiperidin-1'-yl)-2-methoxyphenyl]amino}-5-chloro-4-pyrimidinyl)amino]-2-methyl-1-isoindolinone [ACD/IUPAC Name]
7-[(2-{[4-(1,4'-Bipipéridin-1'-yl)-2-méthoxyphényl]amino}-5-chloro-4-pyrimidinyl)amino]-2-méthyl-1-isoindolinone [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: 762.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.1±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 22.54
ACD/KOC (pH 7.4): 82.99
Polar Surface Area: 86 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 424.0±3.0 cm3

Click to predict properties on the Chemicalize site


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