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Search term: DYLJVOXRWLXDIG-LWXMPVTCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R,5S)-2-({[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methylene}amino)-2-adamantanecarboxylic acid | C32H31ClN4O5

(1S,2R,5S)-2-({[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methylene}amino)-2-adamantanecarboxylic acid

  • Molecular FormulaC32H31ClN4O5
  • Average mass587.065 Da
  • Monoisotopic mass586.198303 Da
  • ChemSpider ID57643049

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,5S)-2-({[1-(7-Chlor-4-chinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methylen}amino)-2-adamantancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R,5S)-2-({[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl](hydroxy)methylene}amino)-2-adamantanecarboxylic acid [ACD/IUPAC Name]
146362-70-1 [RN]
Acide (1S,2R,5S)-2-({[1-(7-chloro-4-quinoléinyl)-5-(2,6-diméthoxyphényl)-1H-pyrazol-3-yl](hydroxy)méthylène}amino)-2-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 2-[[[1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]hydroxymethylene]amino]-, (1S,2R,5S)- [ACD/Index Name]
2-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]-tricyclo[3.3.1.13,7]decane-2-carboxylic acid

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

SR 48692 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.2±35.7 °C
Index of Refraction: 1.729
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 4.07
Polar Surface Area: 119 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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