ChemSpider 2D Image | (5S)-3-[2-(4-Methoxyphenyl)ethyl]-5-{3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]-3-oxopropyl}-2,4-imidazolidinedione | C26H29N5O7

(5S)-3-[2-(4-Methoxyphenyl)ethyl]-5-{3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl}-2,4-imidazolidinedione

  • Molecular FormulaC26H29N5O7
  • Average mass523.538 Da
  • Monoisotopic mass523.206726 Da
  • ChemSpider ID60552615

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S)-3-[2-(4-Methoxyphenyl)ethyl]-5-{3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl}-2,4-imidazolidindion [German] [ACD/IUPAC Name]
(5S)-3-[2-(4-Methoxyphenyl)ethyl]-5-{3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl}-2,4-imidazolidinedione [ACD/IUPAC Name]
(5S)-3-[2-(4-Méthoxyphényl)éthyl]-5-{3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]-3-oxopropyl}-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
2,4-Imidazolidinedione, 3-[2-(4-methoxyphenyl)ethyl]-5-[3-oxo-3-[(1S,5R)-1,5,6,8-tetrahydro-9-nitro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl]-, (5S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 94.51
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 85.64
Polar Surface Area: 145 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

Click to predict properties on the Chemicalize site


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