ChemSpider 2D Image | (S)-(4-Fluorophenyl){4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}methanol | C19H16FN5O

(S)-(4-Fluorophenyl){4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}methanol

  • Molecular FormulaC19H16FN5O
  • Average mass349.362 Da
  • Monoisotopic mass349.133881 Da
  • ChemSpider ID32699471

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(4-Fluorophenyl){4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}methanol [ACD/IUPAC Name]
(S)-(4-Fluorophényl){4-[(5-méthyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}méthanol [French] [ACD/IUPAC Name]
(S)-(4-Fluorphenyl){4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-chinazolinyl}methanol [German] [ACD/IUPAC Name]
2-Quinazolinemethanol, α-(4-fluorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-, (αS)- [ACD/Index Name]
1361415-84-0 [RN]
AC410
AC430
AC-430
UNII-E7YVO9NSJ9

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.6±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 77.84
ACD/KOC (pH 5.5): 730.56
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.24
ACD/KOC (pH 7.4): 940.79
Polar Surface Area: 87 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 245.7±3.0 cm3

Click to predict properties on the Chemicalize site


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