ChemSpider 2D Image | 4-(1H-Pyrazol-5-yl)-2-{4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl}phenol | C21H20N6O

4-(1H-Pyrazol-5-yl)-2-{4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl}phenol

  • Molecular FormulaC21H20N6O
  • Average mass372.423 Da
  • Monoisotopic mass372.169861 Da
  • ChemSpider ID25058459

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(1H-Pyrazol-5-yl)-2-{4-[(3S)-3-pyrrolidinylamino]-2-chinazolinyl}phenol [German] [ACD/IUPAC Name]
4-(1H-Pyrazol-5-yl)-2-{4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl}phenol [ACD/IUPAC Name]
4-(1H-Pyrazol-5-yl)-2-{4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl}phénol [French] [ACD/IUPAC Name]
4-(1h-Pyrazol-5-Yl)-2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
Phenol, 4-(1H-pyrazol-5-yl)-2-[4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl]- [ACD/Index Name]
LWH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.735
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.24
Polar Surface Area: 99 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 270.8±3.0 cm3

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