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Search term: OXGBDAHIBSSGDL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(3-{3-[2,6-Diamino-5-(3-chlorophenyl)-4-pyrimidinyl]propoxy}phenoxy)butanoic acid | C23H25ClN4O4

4-(3-{3-[2,6-Diamino-5-(3-chlorophenyl)-4-pyrimidinyl]propoxy}phenoxy)butanoic acid

  • Molecular FormulaC23H25ClN4O4
  • Average mass456.922 Da
  • Monoisotopic mass456.156433 Da
  • ChemSpider ID127445478

More details:

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

4-(3-{3-[2,6-Diamino-5-(3-chlorophenyl)-4-pyrimidinyl]propoxy}phenoxy)butanoic acid [ACD/IUPAC Name]
4-(3-{3-[2,6-Diamino-5-(3-chlorphenyl)-4-pyrimidinyl]propoxy}phenoxy)butansäure [German] [ACD/IUPAC Name]
Acide 4-(3-{3-[2,6-diamino-5-(3-chlorophényl)-4-pyrimidinyl]propoxy}phénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[3-[3-[2,6-diamino-5-(3-chlorophenyl)-4-pyrimidinyl]propoxy]phenoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 774.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.3±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 25.07
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 7.69
Polar Surface Area: 134 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


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