ChemSpider 2D Image | 2-[4-(4-Acetamido-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)phenoxy]-N-(4-chlorophenyl)acetamide | C27H19ClN4O5

2-[4-(4-Acetamido-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)phenoxy]-N-(4-chlorophenyl)acetamide

  • Molecular FormulaC27H19ClN4O5
  • Average mass514.917 Da
  • Monoisotopic mass514.104370 Da
  • ChemSpider ID21837216

More details:

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

2-[4-(4-Acetamido-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)phenoxy]-N-(4-chlorophenyl)acetamide [ACD/IUPAC Name]
2-[4-(4-Acétamido-5-oxo-5H-chroméno[4,3-d]pyrimidin-2-yl)phénoxy]-N-(4-chlorophényl)acétamide [French] [ACD/IUPAC Name]
2-[4-(4-Acetamido-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)phenoxy]-N-(4-chlorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[4-[4-(acetylamino)-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl]phenoxy]-N-(4-chlorophenyl)- [ACD/Index Name]
2-[4-(1-Acetylamino-10-oxo-10H-9-oxa-2,4-diaza-phenanthren-3-yl)-phenoxy]-N-(4-chloro-phenyl)-acetamide
2-{4-[4-(acetylamino)-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl]phenoxy}-N-(4-chlorophenyl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 763.0±60.0 °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: 415.2±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3819.32
ACD/KOC (pH 5.5): 12751.21
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3818.71
ACD/KOC (pH 7.4): 12749.18
Polar Surface Area: 120 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

Click to predict properties on the Chemicalize site


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