Found 33 results

Search term: MF = 'C_{27}H_{29}ClN_{6}O_{5}'
ChemSpider 2D Image | {4-Chloro-2-[({4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)amino]phenyl}(4-morpholinyl)methanone | C27H29ClN6O5

{4-Chloro-2-[({4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)amino]phenyl}(4-morpholinyl)methanone

  • Molecular FormulaC27H29ClN6O5
  • Average mass553.009 Da
  • Monoisotopic mass552.188782 Da
  • ChemSpider ID9881393

More details:

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

{4-Chlor-2-[({4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)amino]phenyl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
{4-Chloro-2-[({4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)amino]phenyl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{4-Chloro-2-[({4-[(2,4-diamino-5-pyrimidinyl)méthyl]-6,7-diméthoxy-1-benzofuran-2-yl}méthyl)amino]phényl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-chloro-2-[[[4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-2-benzofuranyl]methyl]amino]phenyl]-4-morpholinyl- [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: 838.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 461.0±37.1 °C
Index of Refraction: 1.687
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 62.61
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 124.07
ACD/KOC (pH 7.4): 1026.25
Polar Surface Area: 151 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site


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