ChemSpider 2D Image | 1-Benzyl-5-(1-naphthylmethyl)-5-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione | C34H32N4O4

1-Benzyl-5-(1-naphthylmethyl)-5-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC34H32N4O4
  • Average mass560.642 Da
  • Monoisotopic mass560.242371 Da
  • ChemSpider ID17462737

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Benzyl-5-(1-naphthylmethyl)-5-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
1-Benzyl-5-(1-naphthylmethyl)-5-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1-Benzyl-5-(1-naphtylméthyl)-5-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]méthyl}-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-naphthalenylmethyl)-1-(phenylmethyl)-5-[[(1S,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]- [ACD/Index Name]
956992-21-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 647.55
ACD/KOC (pH 5.5): 2830.67
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1132.22
ACD/KOC (pH 7.4): 4949.35
Polar Surface Area: 90 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 402.0±5.0 cm3

Click to predict properties on the Chemicalize site


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