ChemSpider 2D Image | N-{(E)-[(3-Chlorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide | C30H31ClN6O3

N-{(E)-[(3-Chlorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID2218569

More details:

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

2H-Isoindole-2-acetamide, N-[(1E)-[(3-chlorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene]octahydro-1,3-dioxo-α-(phenylmethyl)- [ACD/Index Name]
2H-isoindole-2-acetamide, N-[(1Z)-[(3-chlorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene]octahydro-1,3-dioxo-α-(phenylmethyl)-
N-{(E)-[(3-Chlorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide [ACD/IUPAC Name]
N-{(E)-[(3-Chlorophényl)amino][(4,6-diméthyl-2-pyrimidinyl)amino]méthylène}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phénylpropanamide [French] [ACD/IUPAC Name]
N-{(E)-[(3-Chlorphenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylen}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamid [German] [ACD/IUPAC Name]
N-{(Z)-[(3-Chlorophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylene}-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide
1042696-97-8 [RN]
2-{(3Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-4-[(3-chlorophenyl)amino]-2-oxo-1-benzyl-3-azabut-3-enyl}-4,5,6,7,3a,7a-hexahydroisoindole-1,3-dione
N-[(3-chloroanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide
N-[N'-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 764.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5500.87
ACD/KOC (pH 5.5): 16557.40
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5500.89
ACD/KOC (pH 7.4): 16557.48
Polar Surface Area: 117 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 405.9±7.0 cm3

Click to predict properties on the Chemicalize site


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