ChemSpider 2D Image | N-(4-{[(1H-Imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide | C19H18N6O2S

N-(4-{[(1H-Imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

  • Molecular FormulaC19H18N6O2S
  • Average mass394.450 Da
  • Monoisotopic mass394.121185 Da
  • ChemSpider ID30835843

More details:






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

N-(4-{[(1H-Imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
N-(4-{[(1H-Imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide [ACD/IUPAC Name]
N-(4-{[(1H-Imidazol-2-ylméthyl)amino]méthyl}benzyl)-4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidine-5-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-5-carboxamide, 3,4-dihydro-N-[[4-[[(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methyl]-4-oxo- [ACD/Index Name]
21W

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

Density: 1.5±0.1 g/cm3
Boiling Point: 806.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.5±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 140 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 261.6±7.0 cm3

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