Found 3 results

Search term: IIJDFXNUWZTHIM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4'-[(2,3-Dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid | C33H29N3O5

4'-[(2,3-Dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID35035194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1R)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1H-indol-1-yl]methyl]- [ACD/Index Name]
4'-[(2,3-Dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(2,3-Dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid
Acide 4'-[(2,3-diméthyl-5-{[(1R)-1-(4-nitrophényl)éthyl]carbamoyl}-1H-indol-1-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 156.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 2008.48
ACD/KOC (pH 5.5): 2781.83
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 84.88
ACD/KOC (pH 7.4): 117.56
Polar Surface Area: 117 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 430.4±7.0 cm3

Click to predict properties on the Chemicalize site


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