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Search term: BKKZXYQHBNATKO-UQQQWYQISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | MFCD03418474 | C28H23N3O5S3

MFCD03418474

  • Molecular FormulaC28H23N3O5S3
  • Average mass577.694 Da
  • Monoisotopic mass577.079956 Da
  • ChemSpider ID4775497

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5Z)-5-({3-[4-(Benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylen)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethansulfonsäure [German] [ACD/IUPAC Name]
2-[(5Z)-5-({3-[4-(Benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid [ACD/IUPAC Name]
3-Thiazolidineethanesulfonic acid, 4-oxo-5-[[1-phenyl-3-[4-(phenylmethoxy)phenyl]-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)- [ACD/Index Name]
Acide 2-[(5Z)-5-({3-[4-(benzyloxy)phényl]-1-phényl-1H-pyrazol-4-yl}méthylène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]éthanesulfonique [French] [ACD/IUPAC Name]
MFCD03418474
(Z)-2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
2-[(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
2-[(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
2-[4-oxo-5-({1-phenyl-3-[4-(phenylmethoxy)phenyl]pyrazol-4-yl}methylene)-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
956442-05-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 410.9±7.0 cm3

Click to predict properties on the Chemicalize site


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