Found 1 result

Search term: VTYVKKWVPPWPFR-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Ethyl-3-(4-{1-methyl-7-[(3S)-3-methyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl}phenyl)urea | C20H25N7O2

1-Ethyl-3-(4-{1-methyl-7-[(3S)-3-methyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl}phenyl)urea

  • Molecular FormulaC20H25N7O2
  • Average mass395.458 Da
  • Monoisotopic mass395.206970 Da
  • ChemSpider ID30819142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-3-(4-{1-methyl-7-[(3S)-3-methyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-Ethyl-3-(4-{1-methyl-7-[(3S)-3-methyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl}phenyl)urea [ACD/IUPAC Name]
1-Éthyl-3-(4-{1-méthyl-7-[(3S)-3-méthyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-ethyl-N'-[4-[1-methyl-7-[(3S)-3-methyl-4-morpholinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.02
ACD/KOC (pH 5.5): 235.67
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.62
ACD/KOC (pH 7.4): 303.35
Polar Surface Area: 97 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 286.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement