ChemSpider 2D Image | MRS-1706 | C27H29N5O5


  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID4313008

More details:

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

264622-53-9 [RN]
Acetamide, N-(4-acetylphenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]- [ACD/Index Name]
MRS-1706 [Wiki]
N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)phénoxy]acétamide [French] [ACD/IUPAC Name]
MRS 1706|MRS-1706

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

MRS 1706 [DBID]
NCGC00025221-01 [DBID]
Tocris-1584 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 811.78
ACD/KOC (pH 5.5): 4206.12
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 690.71
ACD/KOC (pH 7.4): 3578.80
Polar Surface Area: 125 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 389.4±3.0 cm3

Click to predict properties on the Chemicalize site

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