ChemSpider 2D Image | 1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea | C25H26N6O

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

  • Molecular FormulaC25H26N6O
  • Average mass426.513 Da
  • Monoisotopic mass426.216797 Da
  • ChemSpider ID35034521

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-benzylharnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea [ACD/IUPAC Name]
1-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phényl]-3-benzylurée [French] [ACD/IUPAC Name]
Urea, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-N'-(phenylmethyl)- [ACD/Index Name]
VRZ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.714
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 539.41
ACD/KOC (pH 5.5): 2075.42
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2225.35
ACD/KOC (pH 7.4): 8562.28
Polar Surface Area: 98 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

Click to predict properties on the Chemicalize site


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