ChemSpider 2D Image | 4-[(1-Cyclopentyl-2-ethyl-4-methyl-3-oxo-1,2,3,4-tetrahydropyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide | C27H38N8O3

4-[(1-Cyclopentyl-2-ethyl-4-methyl-3-oxo-1,2,3,4-tetrahydropyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide

  • Molecular FormulaC27H38N8O3
  • Average mass522.642 Da
  • Monoisotopic mass522.306702 Da
  • ChemSpider ID24808866

More details:

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

4-[(1-Cyclopentyl-2-ethyl-4-methyl-3-oxo-1,2,3,4-tetrahydropyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamid [German] [ACD/IUPAC Name]
4-[(1-Cyclopentyl-2-ethyl-4-methyl-3-oxo-1,2,3,4-tetrahydropyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide [ACD/IUPAC Name]
4-[(1-Cyclopentyl-2-éthyl-4-méthyl-3-oxo-1,2,3,4-tétrahydropyrimido[5,4-e][1,2,4]triazin-7-yl)amino]-3-méthoxy-N-(1-méthyl-4-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(1-cyclopentyl-2-ethyl-1,2,3,4-tetrahydro-4-methyl-3-oxopyrimido[5,4-e]-1,2,4-triazin-7-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
Kinome_1306

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

Click to predict properties on the Chemicalize site


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