ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{1-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-6-quinolinyl}acetamide | C25H26N6O6S

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{1-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-6-quinolinyl}acetamide

  • Molecular FormulaC25H26N6O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163452 Da
  • ChemSpider ID39329141

More details:

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

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{1-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-6-chinolinyl}acetamid [German] [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-{1-[(4-méthoxyphényl)sulfonyl]-1,2,3,4-tétrahydro-6-quinoléinyl}acétamide [French] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{1-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-6-quinolinyl}acetamide [ACD/IUPAC Name]
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-N-[1,2,3,4-tetrahydro-1-[(4-methoxyphenyl)sulfonyl]-6-quinolinyl]- [ACD/Index Name]
2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(1-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.26
ACD/KOC (pH 5.5): 267.34
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.26
ACD/KOC (pH 7.4): 267.34
Polar Surface Area: 143 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 360.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement