ChemSpider 2D Image | 4-[4-(1,3-Benzoxazol-2-ylamino)phenyl]-6-[3-(dimethylamino)propoxy]-1-isoindolinone | C26H26N4O3

4-[4-(1,3-Benzoxazol-2-ylamino)phenyl]-6-[3-(dimethylamino)propoxy]-1-isoindolinone

  • Molecular FormulaC26H26N4O3
  • Average mass442.510 Da
  • Monoisotopic mass442.200500 Da
  • ChemSpider ID24808863

More details:

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

1H-Isoindol-1-one, 4-[4-(2-benzoxazolylamino)phenyl]-6-[3-(dimethylamino)propoxy]-2,3-dihydro- [ACD/Index Name]
4-[4-(1,3-Benzoxazol-2-ylamino)phenyl]-6-[3-(dimethylamino)propoxy]-1-isoindolinon [German] [ACD/IUPAC Name]
4-[4-(1,3-Benzoxazol-2-ylamino)phenyl]-6-[3-(dimethylamino)propoxy]-1-isoindolinone [ACD/IUPAC Name]
4-[4-(1,3-Benzoxazol-2-ylamino)phényl]-6-[3-(diméthylamino)propoxy]-1-isoindolinone [French] [ACD/IUPAC Name]
Kinome_1317

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 28.74
Polar Surface Area: 80 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

Click to predict properties on the Chemicalize site


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