ChemSpider 2D Image | 3-[(3-Butyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile | C20H23N3O3

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

  • Molecular FormulaC20H23N3O3
  • Average mass353.415 Da
  • Monoisotopic mass353.173950 Da
  • ChemSpider ID24662106

More details:

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

3-[(3-Butyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-[(3-Butyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile [ACD/IUPAC Name]
3-[(3-Butyl-5-isopropyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)carbonyl]-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Benzonitrile, 3-[[3-butyl-1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-5-methyl- [ACD/Index Name]
KBT

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: 1.578
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.53
ACD/KOC (pH 5.5): 617.06
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 53.85
ACD/KOC (pH 7.4): 598.36
Polar Surface Area: 90 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 291.6±5.0 cm3

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