ChemSpider 2D Image | Capadenoson | C25H18ClN5O2S2

Capadenoson

  • Molecular FormulaC25H18ClN5O2S2
  • Average mass520.026 Da
  • Monoisotopic mass519.059021 Da
  • ChemSpider ID8112117

More details:






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

2-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]-3,5-pyridinedicarbonitrile [ACD/IUPAC Name]
2-Amino-6-({[2-(4-chlorophényl)-1,3-thiazol-4-yl]méthyl}sulfanyl)-4-[4-(2-hydroxyéthoxy)phényl]-3,5-pyridinedicarbonitrile [French] [ACD/IUPAC Name]
2-Amino-6-({[2-(4-chlorphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]-3,5-pyridindicarbonitril [German] [ACD/IUPAC Name]
3,5-Pyridinedicarbonitrile, 2-amino-6-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]- [ACD/Index Name]
544417-40-5 [RN]
Capadenoson [INN]
capadenosón [Spanish] [INN]
capadénoson [French] [INN]
capadenosonum [Latin] [INN]
UNII-O519NVW73R
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 787.9±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: 430.3±35.7 °C
Index of Refraction: 1.735
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1380.17
ACD/KOC (pH 5.5): 6154.07
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1380.18
ACD/KOC (pH 7.4): 6154.08
Polar Surface Area: 182 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 342.3±5.0 cm3

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