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 ID4515031

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

118785-03-8 [RN]
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]
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 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]
4-[[1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-(2-methoxyethoxymethyl)-3-oxopropyl]cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
Candoxatril [INN] [Wiki]
Candoxatril (JAN/USAN) [JAN] [USAN]
Candoxatril [USAN:INN:BAN] [INN] [USAN]
GANDOXATRIL

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

D01070 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.3±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 137.8±0.4 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): 3.11
ACD/BCF (pH 5.5): 84.91
ACD/KOC (pH 5.5): 482.22
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 7.66
Polar Surface Area: 111 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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