ChemSpider 2D Image | 3-[(5-Isopropyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile | C19H21N3O3

3-[(5-Isopropyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile

  • Molecular FormulaC19H21N3O3
  • Average mass339.388 Da
  • Monoisotopic mass339.158295 Da
  • ChemSpider ID24662450

More details:

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

3-[(5-Isopropyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-[(5-Isopropyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile [ACD/IUPAC Name]
3-[(5-Isopropyl-2,6-dioxo-3-propyl-1,2,3,6-tétrahydro-4-pyrimidinyl)carbonyl]-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
3-Methyl-5-{[5-(1-Methylethyl)-2,6-Dioxo-3-Propyl-1,2,3,6-Tetrahydropyrimidin-4-Yl]carbonyl}benzonitrile
Benzonitrile, 3-methyl-5-[[1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-3-propyl-4-pyrimidinyl]carbonyl]- [ACD/Index Name]
KRP

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.20
ACD/KOC (pH 5.5): 408.39
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.28
ACD/KOC (pH 7.4): 396.33
Polar Surface Area: 90 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

Click to predict properties on the Chemicalize site


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