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Search term: HQWXZTRYIWULAX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound 2 [PMID: 22380603] | C24H25N5O7S

compound 2 [PMID: 22380603]

  • Molecular FormulaC24H25N5O7S
  • Average mass527.550 Da
  • Monoisotopic mass527.147461 Da
  • ChemSpider ID1463033

More details:

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

5-({[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}amino)-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-({[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}amino)-2-hydroxybenzoic acid [ACD/IUPAC Name]
5-({[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}amino)-2-hydroxybenzoic acid
Acide 5-({[4-éthoxy-3-(1-méthyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phényl]sulfonyl}amino)-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]amino]-2-hydroxy- [ACD/Index Name]
Benzoic acid, 5-[[[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]amino]-2-hydroxy-
compound 2 [PMID: 22380603]
372154-05-7 [RN]
5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[5,4-e]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 788.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.4±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 181 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


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