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 ID23113286

  • Double-bond stereo - Double-bond stereo

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]
(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]prop-2-enamide
N-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

Click to predict properties on the Chemicalize site


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