ChemSpider 2D Image | (2E)-N-[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamide | C17H18N4O7

(2E)-N-[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamide

  • Molecular FormulaC17H18N4O7
  • Average mass390.347 Da
  • Monoisotopic mass390.117554 Da
  • ChemSpider ID115296698

More details:

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

(2E)-N-[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamide [ACD/IUPAC Name]
(2E)-N-[1,3-Dihydroxy-1-(4-nitrophényl)-2-propanyl]-3-(6-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.48
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.49
Polar Surface Area: 174 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 260.8±3.0 cm3

Click to predict properties on the Chemicalize site


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