ChemSpider 2D Image | 1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea | C24H24N6O

1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea

  • Molecular FormulaC24H24N6O
  • Average mass412.487 Da
  • Monoisotopic mass412.201172 Da
  • ChemSpider ID35034524

More details:

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

1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea [ACD/IUPAC Name]
1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phényl]-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-N'-phenyl- [ACD/Index Name]
vsa

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.7±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 299.10
ACD/KOC (pH 5.5): 1356.99
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1245.50
ACD/KOC (pH 7.4): 5650.75
Polar Surface Area: 98 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 299.8±7.0 cm3

Click to predict properties on the Chemicalize site


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