ChemSpider 2D Image | 3-(2-{5-[(5-Amino-1,3,4-thiadiazol-2-yl)methoxy]-2-[(1H-indazol-5-ylamino)methyl]-4-oxo-1(4H)-pyridinyl}ethyl)-1,3-thiazolidine-2,4-dione | C21H20N8O4S2

3-(2-{5-[(5-Amino-1,3,4-thiadiazol-2-yl)methoxy]-2-[(1H-indazol-5-ylamino)methyl]-4-oxo-1(4H)-pyridinyl}ethyl)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC21H20N8O4S2
  • Average mass512.565 Da
  • Monoisotopic mass512.104919 Da
  • ChemSpider ID124124845

More details:

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

2,4-Thiazolidinedione, 3-[2-[5-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-2-[(1H-indazol-5-ylamino)methyl]-4-oxo-1(4H)-pyridinyl]ethyl]- [ACD/Index Name]
3-(2-{5-[(5-Amino-1,3,4-thiadiazol-2-yl)methoxy]-2-[(1H-indazol-5-ylamino)methyl]-4-oxo-1(4H)-pyridinyl}ethyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-(2-{5-[(5-Amino-1,3,4-thiadiazol-2-yl)methoxy]-2-[(1H-indazol-5-ylamino)methyl]-4-oxo-1(4H)-pyridinyl}ethyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-(2-{5-[(5-Amino-1,3,4-thiadiazol-2-yl)méthoxy]-2-[(1H-indazol-5-ylamino)méthyl]-4-oxo-1(4H)-pyridinyl}éthyl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 864.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.6±37.1 °C
Index of Refraction: 1.783
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.09
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.26
Polar Surface Area: 213 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 109.1±5.0 dyne/cm
Molar Volume: 310.0±5.0 cm3

Click to predict properties on the Chemicalize site


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