ChemSpider 2D Image | N-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | C24H29N7O6S

N-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[2-(4-morpholinyl)ethyl]acetamide

  • Molecular FormulaC24H29N7O6S
  • Average mass543.595 Da
  • Monoisotopic mass543.190002 Da
  • ChemSpider ID49270362

More details:






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

7H-Purine-7-acetamide, N-(4,7-dimethoxy-2-benzothiazolyl)-1,2,3,6-tetrahydro-1,3-dimethyl-N-[2-(4-morpholinyl)ethyl]-2,6-dioxo- [ACD/Index Name]
N-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[2-(4-morpholinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
N-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[2-(4-morpholinyl)ethyl]acetamide [ACD/IUPAC Name]
N-(4,7-Diméthoxy-1,3-benzothiazol-2-yl)-2-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-[2-(4-morpholinyl)éthyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 766.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 23.02
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 103.40
Polar Surface Area: 151 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 361.5±7.0 cm3

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