ChemSpider 2D Image | 8-(2,5-Cyclohexadien-1-ylideneamino)-1-(4-piperidinylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide | C22H25N7O

8-(2,5-Cyclohexadien-1-ylideneamino)-1-(4-piperidinylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

  • Molecular FormulaC22H25N7O
  • Average mass403.480 Da
  • Monoisotopic mass403.212067 Da
  • ChemSpider ID25060914

More details:

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

1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 8-(2,5-cyclohexadien-1-ylideneamino)-4,5-dihydro-1-(4-piperidinylmethyl)- [ACD/Index Name]
8-(2,5-Cyclohexadien-1-ylidenamino)-1-(4-piperidinylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
8-(2,5-Cyclohexadien-1-ylideneamino)-1-(4-piperidinylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [ACD/IUPAC Name]
8-(2,5-Cyclohexadién-1-ylidèneamino)-1-(4-pipéridinylméthyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [French] [ACD/IUPAC Name]
8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-H]quinazoline-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 706.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±35.7 °C
Index of Refraction: 1.770
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.60
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): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 272.3±7.0 cm3

Click to predict properties on the Chemicalize site


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