ChemSpider 2D Image | 2-({6-Amino-2-[4-(2-furoyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C22H24N8O5S

2-({6-Amino-2-[4-(2-furoyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC22H24N8O5S
  • Average mass512.542 Da
  • Monoisotopic mass512.159058 Da
  • ChemSpider ID62442308

More details:

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

2-({6-Amino-2-[4-(2-furoyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-({6-Amino-2-[4-(2-furoyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-({6-Amino-2-[4-(2-furoyl)-1-pipérazinyl]-5-nitro-4-pyrimidinyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxamide, 2-[[6-amino-2-[4-(2-furanylcarbonyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-4,5,6,7-tetrahydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.6±35.7 °C
Index of Refraction: 1.723
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3001.50
ACD/KOC (pH 5.5): 10691.98
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3040.54
ACD/KOC (pH 7.4): 10831.06
Polar Surface Area: 218 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 87.8±3.0 dyne/cm
Molar Volume: 334.2±3.0 cm3

Click to predict properties on the Chemicalize site


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