Found 1 result

Search term: YVERUHTVQFIZMT-MSTPFNHUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(3-nitrophenyl)sulfonyl]acetamide | C24H19FN4O7S2

(2S)-2-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(3-nitrophenyl)sulfonyl]acetamide

  • Molecular FormulaC24H19FN4O7S2
  • Average mass558.559 Da
  • Monoisotopic mass558.067932 Da
  • ChemSpider ID23294372

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({(5Z)-5-[(5-Ethyl-2-furyl)methylen]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorphenyl)-N-[(3-nitrophenyl)sulfonyl]acetamid [German] [ACD/IUPAC Name]
(2S)-2-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(3-nitrophenyl)sulfonyl]acetamide [ACD/IUPAC Name]
(2S)-2-({(5Z)-5-[(5-Éthyl-2-furyl)méthylène]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophényl)-N-[(3-nitrophényl)sulfonyl]acétamide [French] [ACD/IUPAC Name]
(2S)-2-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(3-nitrophenyl)sulfonyl]ethanamide
Benzeneacetamide, α-[[(5Z)-5-[(5-ethyl-2-furanyl)methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]-4-fluoro-N-[(3-nitrophenyl)sulfonyl]-, (αS)- [ACD/Index Name]
(S)-2-(5-((5-ethylfuran-2-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-ylamino)-2-(4-fluorophenyl)-N-(3-nitrophenylsulfonyl)acetamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL393338/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 10.90
ACD/KOC (pH 5.5): 84.88
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 197 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 361.6±7.0 cm3

Click to predict properties on the Chemicalize site


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