ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acetamide | C24H29N7O5S

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acetamide

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID49268321

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-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acetamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acetamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-(5-méthoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acétamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(5-methoxy-2-benzothiazolyl)-1,3-dimethyl-N-[3-(4-morpholinyl)propyl]-2,6-dioxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 747.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.709
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.87
ACD/KOC (pH 7.4): 112.15
Polar Surface Area: 142 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

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