ChemSpider 2D Image | (5s)-5-{4-[(2s)-2-(1h-Benzimidazol-2-Yl)-2-(1,3-Benzothiazol-2-Ylamino)ethyl]phenyl}isothiazolidin-3-One 1,1-Dioxide | C25H21N5O3S2

(5s)-5-{4-[(2s)-2-(1h-Benzimidazol-2-Yl)-2-(1,3-Benzothiazol-2-Ylamino)ethyl]phenyl}isothiazolidin-3-One 1,1-Dioxide

  • Molecular FormulaC25H21N5O3S2
  • Average mass503.596 Da
  • Monoisotopic mass503.108582 Da
  • ChemSpider ID7828121

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S) 1,1-Dioxyde de 5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)éthyl]phényl}-1,2-thiazolidin-3-one [French] [ACD/IUPAC Name]
(5S)-5-{4-[(2S)-2-(1H-Benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}-1,2-thiazolidin-3-on-1,1-dioxid [German] [ACD/IUPAC Name]
(5S)-5-{4-[(2S)-2-(1H-Benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}-1,2-thiazolidin-3-one 1,1-dioxide [ACD/IUPAC Name]
(5s)-5-{4-[(2s)-2-(1h-Benzimidazol-2-Yl)-2-(1,3-Benzothiazol-2-Ylamino)ethyl]phenyl}isothiazolidin-3-One 1,1-Dioxide
3-Isothiazolidinone, 5-[4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(2-benzothiazolylamino)ethyl]phenyl]-, 1,1-dioxide, (5S)- [ACD/Index Name]
F32
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL440955/

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: 1.756
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.73
ACD/KOC (pH 5.5): 62.26
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 15.02
Polar Surface Area: 153 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

Click to predict properties on the Chemicalize site


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