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

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

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID25058742

More details:

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

1H-Isoindol-1-one, 4-[1,4'-bipiperidin]-1'-yl-7-[[5-chloro-2-[(2-methoxyphenyl)amino]-4-pyrimidinyl]amino]-2,3-dihydro-2-methyl- [ACD/Index Name]
4-(1,4'-Bipiperidin-1'-yl)-7-({5-chlor-2-[(2-methoxyphenyl)amino]-4-pyrimidinyl}amino)-2-methyl-1-isoindolinon [German] [ACD/IUPAC Name]
4-(1,4'-Bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]-4-pyrimidinyl}amino)-2-methyl-1-isoindolinone [ACD/IUPAC Name]
4-(1,4'-Bipipéridin-1'-yl)-7-({5-chloro-2-[(2-méthoxyphényl)amino]-4-pyrimidinyl}amino)-2-méthyl-1-isoindolinone [French] [ACD/IUPAC Name]
4-(1,4'-Bipiperidin-1'-Yl)-7-({5-Chloro-2-[(2-Methoxyphenyl)amino]pyrimidin-4-Yl}amino)-2-Methyl-2,3-Dihydro-1h-Isoindol-1-One
VG8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 766.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±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: 2.57
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 5.80
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 17.24
ACD/KOC (pH 7.4): 75.59
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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