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Search term: DHRLFEJASBKCIX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2E,5Z)-5-{[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one | C27H26ClN3OS

(2E,5Z)-5-{[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one

  • Molecular FormulaC27H26ClN3OS
  • Average mass476.033 Da
  • Monoisotopic mass475.148499 Da
  • ChemSpider ID24838438

More details:

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

(2E,5Z)-5-{[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2E,5Z)-5-{[1-(4-Chlorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-3-cyclopentyl-2-(phénylimino)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
(2E,5Z)-5-{[1-(4-Chlorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-3-cyclopentyl-2-(phenylimino)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-3-cyclopentyl-2-(phenylimino)-, (2E,5Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.4±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60032.79
ACD/KOC (pH 5.5): 91611.87
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60032.79
ACD/KOC (pH 7.4): 91611.87
Polar Surface Area: 63 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 369.9±7.0 cm3

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