ChemSpider 2D Image | 2-[(3-Butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide | C24H22Cl2N4O2S

2-[(3-Butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID35004879

More details:






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

2-[(3-Butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide [ACD/IUPAC Name]
2-[(3-Butyl-4-oxo-7-phényl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophényl)acétamide [French] [ACD/IUPAC Name]
2-[(3-Butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[(3-butyl-4,5-dihydro-4-oxo-7-phenyl-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-N-(3,4-dichlorophenyl)- [ACD/Index Name]
2-((3-butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)-N-(3,4-dichlorophenyl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6607.04
ACD/KOC (pH 5.5): 18877.82
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6606.71
ACD/KOC (pH 7.4): 18876.87
Polar Surface Area: 103 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 356.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement