ChemSpider 2D Image | SIM-6802 | C25H26ClFN4O4

SIM-6802

  • Molecular FormulaC25H26ClFN4O4
  • Average mass500.950 Da
  • Monoisotopic mass500.162659 Da
  • ChemSpider ID20566604

More details:






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

4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4.3]undec-10-yl)ethoxy]-7-methoxy- [ACD/Index Name]
58K797D5IK
944258-89-3 [RN]
N-(3-Chlor-4-fluorphenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4.3]undec-10-yl)ethoxy]-7-methoxy-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4.3]undec-10-yl)ethoxy]-7-methoxy-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4.3]undéc-10-yl)éthoxy]-7-méthoxy-4-quinazolinamine [French] [ACD/IUPAC Name]
SIM-6802
N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine
N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine
SIM6802
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 19.42
ACD/KOC (pH 7.4): 150.23
Polar Surface Area: 78 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

Click to predict properties on the Chemicalize site






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