ChemSpider 2D Image | N-(3-Acetylphenyl)-2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}acetamide | C18H16N4O4S3

N-(3-Acetylphenyl)-2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}acetamide

  • Molecular FormulaC18H16N4O4S3
  • Average mass448.539 Da
  • Monoisotopic mass448.033356 Da
  • ChemSpider ID22278980

More details:

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

Acetamide, N-(3-acetylphenyl)-2-[[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]thio]- [ACD/Index Name]
N-(3-Acetylphenyl)-2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Acetylphenyl)-2-{[4-amino-5-(2-thienylsulfonyl)-2-pyrimidinyl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-Acétylphényl)-2-{[4-amino-5-(2-thiénylsulfonyl)-2-pyrimidinyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
1040679-80-8 [RN]
N-(3-acetylphenyl)-2-((4-amino-5-(thiophen-2-ylsulfonyl)pyrimidin-2-yl)thio)acetamide
N-(3-acetylphenyl)-2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 778.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.86
ACD/KOC (pH 5.5): 579.48
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.86
ACD/KOC (pH 7.4): 579.47
Polar Surface Area: 194 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 288.0±5.0 cm3

Click to predict properties on the Chemicalize site


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