ChemSpider 2D Image | Ethyl 4-({[7,7-dimethyl-2-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro-5-quinazolinyl]amino}methyl)-1H-pyrazole-3-carboxylate | C21H31N5O2

Ethyl 4-({[7,7-dimethyl-2-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro-5-quinazolinyl]amino}methyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22185458

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-[[[2-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-quinazolinyl]amino]methyl]-, ethyl ester [ACD/Index Name]
4-({[7,7-Diméthyl-2-(2-méthyl-2-propanyl)-5,6,7,8-tétrahydro-5-quinazolinyl]amino}méthyl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({[7,7-dimethyl-2-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro-5-quinazolinyl]amino}methyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-({[7,7-dimethyl-2-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro-5-chinazolinyl]amino}methyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)amino]methyl}-1H-pyrazole-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 55.13
ACD/KOC (pH 5.5): 474.93
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.50
ACD/KOC (pH 7.4): 1150.14
Polar Surface Area: 93 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 328.7±5.0 cm3

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