ChemSpider 2D Image | N-[4-({[(2,6-Dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino}methyl)phenyl]propanamide | C34H38Cl2N8O4

N-[4-({[(2,6-Dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino}methyl)phenyl]propanamide

  • Molecular FormulaC34H38Cl2N8O4
  • Average mass693.623 Da
  • Monoisotopic mass692.239319 Da
  • ChemSpider ID35035917

More details:






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

N-[4-({[(2,6-Dichlor-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino}methyl)phenyl]propanamid [German] [ACD/IUPAC Name]
N-[4-({[(2,6-Dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino}methyl)phenyl]propanamide [ACD/IUPAC Name]
N-[4-({[(2,6-Dichloro-3,5-diméthoxyphényl)carbamoyl](6-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)amino}méthyl)phényl]propanamide [French] [ACD/IUPAC Name]
N-[4-({[(2,6-Dichloro-3,5-Dimethoxyphenyl)carbamoyl](6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)amino}methyl)phenyl]propanamide
Propanamide, N-[4-[[[[(2,6-dichloro-3,5-dimethoxyphenyl)amino]carbonyl][6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]methyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 912.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 505.4±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 190.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 35.89
ACD/KOC (pH 5.5): 89.57
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 2578.28
ACD/KOC (pH 7.4): 6434.33
Polar Surface Area: 124 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 506.4±3.0 cm3

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