ChemSpider 2D Image | N-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonyl-propanamide | C25H25Cl2N5O4S

N-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonyl-propanamide

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID28646409

More details:






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

N-[2-(4-{[3-Chlor-4-(3-chlorphenoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methyl-2-(methylsulfonyl)propanamid [German] [ACD/IUPAC Name]
N-[2-(4-{[3-Chloro-4-(3-chlorophenoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methyl-2-(methylsulfonyl)propanamide [ACD/IUPAC Name]
N-[2-(4-{[3-Chloro-4-(3-chlorophénoxy)phényl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)éthyl]-2-méthyl-2-(méthylsulfonyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[2-[4-[[3-chloro-4-(3-chlorophenoxy)phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 12.19
ACD/KOC (pH 5.5): 55.35
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 435.27
ACD/KOC (pH 7.4): 1975.63
Polar Surface Area: 124 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 395.5±7.0 cm3

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