ChemSpider 2D Image | 4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid | C29H41NO7

4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid

  • Molecular FormulaC29H41NO7
  • Average mass515.638 Da
  • Monoisotopic mass515.288330 Da
  • ChemSpider ID23198448

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide trans-4-{[(1-{(2S)-3-(2,3-dihydro-1H-indén-5-yloxy)-2-[(2-méthoxyéthoxy)méthyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[1-[(2S)-3-[(2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]- [ACD/Index Name]
Cyclohexanecarboxylic acid, 4-[[[1-[(2S)-3-[(2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]-, trans- [ACD/Index Name]
trans-4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid [ACD/IUPAC Name]
123122-55-4 [RN]
4-({1-[2-(Indan-5-yloxycarbonyl)-3-(2-methoxy-ethoxy)-propyl]-cyclopentanecarbonyl}-amino)-cyclohexanecarboxylic acid(UK-69578)
Candoxatril [INN] [Wiki]
UK-69578

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

Density: 1.2±0.0 g/cm3
Boiling Point: 718.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 110.2±0.0 kJ/mol
Flash Point: 388.3±0.0 °C
Index of Refraction: 1.565
Molar Refractivity: 137.8±0.0 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 48.67
ACD/KOC (pH 5.5): 323.80
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.15
Polar Surface Area: 111 Å2
Polarizability: 54.6±0.0 10-24cm3
Surface Tension: 53.7±0.0 dyne/cm
Molar Volume: 423.1±0.0 cm3

Click to predict properties on the Chemicalize site


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