ChemSpider 2D Image | GSK 299423 | C25H27N5O2S

GSK 299423

  • Molecular FormulaC25H27N5O2S
  • Average mass461.579 Da
  • Monoisotopic mass461.188538 Da
  • ChemSpider ID24751852

More details:






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

3-Quinolinecarbonitrile, 6-methoxy-4-[2-[4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl]ethyl]- [ACD/Index Name]
6-Methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}ethyl)-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylméthyl)amino]-1-pipéridinyl}éthyl)-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}ethyl)-3-quinolinecarbonitrile [ACD/IUPAC Name]
GSK 299423 [Wiki]
1352149-24-6 [RN]
GSK-299423

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.7±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 19.78
ACD/KOC (pH 7.4): 176.76
Polar Surface Area: 109 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 343.0±5.0 cm3

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