ChemSpider 2D Image | 5-{2-Oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)-2,4-imidazolidinedione | C25H32N4O7

5-{2-Oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-11-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)-2,4-imidazolidinedione

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID64973242

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2,4-Imidazolidinedione, 5-[2-[(1S,5R)-octahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
5-{2-Oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-11-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)-2,4-imidazolidindion [German] [ACD/IUPAC Name]
5-{2-Oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridec-11-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)-2,4-imidazolidinedione [ACD/IUPAC Name]
5-{2-Oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéc-11-yl]éthyl}-3-(3,4,5-triméthoxyphényl)-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
(1S,5R)-3-{[2-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazol-4-yl]acetyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione

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: 1.630
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 84.36
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 31.71
Polar Surface Area: 118 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 358.0±5.0 cm3

Click to predict properties on the Chemicalize site


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