ChemSpider 2D Image | 3,4-Dihydro-2(1H)-isoquinolinyl(3-{[5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone | C27H23N7O

3,4-Dihydro-2(1H)-isoquinolinyl(3-{[5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID29019333

More details:






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

3,4-Dihydro-2(1H)-isochinolinyl(3-{[5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinoléinyl(3-{[5-méthyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phényl)méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinolinyl(3-{[5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone [ACD/IUPAC Name]
Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)[3-[[5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.09
ACD/KOC (pH 5.5): 1588.19
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.27
ACD/KOC (pH 7.4): 1589.56
Polar Surface Area: 88 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement