ChemSpider 2D Image | 3-[(2R)-1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl]-1,3-thiazolidine-2,4-dione | C24H21N3O5S

3-[(2R)-1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl]-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC24H21N3O5S
  • Average mass463.506 Da
  • Monoisotopic mass463.120178 Da
  • ChemSpider ID32821995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Thiazolidinedione, 3-[(1R)-1-[[(3'-nitro[1,1'-biphenyl]-4-yl)oxy]methyl]-3-(4-pyridinyl)propyl]- [ACD/Index Name]
3-[(2R)-1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-[(2R)-1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-[(2R)-1-[(3'-Nitro-4-biphénylyl)oxy]-4-(4-pyridinyl)-2-butanyl]-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
(R)-3-(1-((3'-nitro-[1,1'-biphenyl]-4-yl)oxy)-4-(pyridin-4-yl)butan-2-yl)thiazolidine-2,4-dione
227088-94-0 [RN]
AZ 11645373
az-11645373
UNII-XY4SZP4C72

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 133.04
ACD/KOC (pH 5.5): 804.47
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 457.67
ACD/KOC (pH 7.4): 2767.55
Polar Surface Area: 131 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 340.3±3.0 cm3

Click to predict properties on the Chemicalize site


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