ChemSpider 2D Image | N-[4-(Aminomethyl)benzyl]-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide | C15H14N4O2S

N-[4-(Aminomethyl)benzyl]-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

  • Molecular FormulaC15H14N4O2S
  • Average mass314.362 Da
  • Monoisotopic mass314.083740 Da
  • ChemSpider ID30835832

More details:






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

N-[4-(Aminomethyl)benzyl]-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Aminomethyl)benzyl]-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide [ACD/IUPAC Name]
N-[4-(Aminométhyl)benzyl]-4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidine-5-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-5-carboxamide, N-[[4-(aminomethyl)phenyl]methyl]-3,4-dihydro-4-oxo- [ACD/Index Name]
21X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.746
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 208.5±7.0 cm3

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