ChemSpider 2D Image | 4-[2-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine | C24H23N7

4-[2-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

  • Molecular FormulaC24H23N7
  • Average mass409.486 Da
  • Monoisotopic mass409.201508 Da
  • ChemSpider ID64895830

More details:

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

4-[2-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin [German] [ACD/IUPAC Name]
4-[2-(3-Phenyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine [ACD/IUPAC Name]
4-[2-(3-Phényl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine [French] [ACD/IUPAC Name]
5H-Cyclopenta[d]pyrimidine, 6,7-dihydro-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]-2-(2-pyridinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 239.68
ACD/KOC (pH 5.5): 1590.61
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.51
ACD/KOC (pH 7.4): 2246.50
Polar Surface Area: 83 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

Click to predict properties on the Chemicalize site


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