ChemSpider 2D Image | N-Ethyl-2-fluoro-N-methyl-4-{(5R)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-2-propanyl]-5H-chromeno[2,3-b]pyridin-2-yl}benzamide | C28H26FN5O3S

N-Ethyl-2-fluoro-N-methyl-4-{(5R)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-2-propanyl]-5H-chromeno[2,3-b]pyridin-2-yl}benzamide

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID28483803

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5H-[1]Benzopyrano[2,3-b]pyridine-5-acetamide, 2-[4-[(ethylmethylamino)carbonyl]-3-fluorophenyl]-α,α-dimethyl-N-1,3,4-thiadiazol-2-yl-, (5R)- [ACD/Index Name]
N-Ethyl-2-fluor-N-methyl-4-{(5R)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-2-propanyl]-5H-chromeno[2,3-b]pyridin-2-yl}benzamid [German] [ACD/IUPAC Name]
N-Ethyl-2-fluoro-N-methyl-4-{(5R)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-2-propanyl]-5H-chromeno[2,3-b]pyridin-2-yl}benzamide [ACD/IUPAC Name]
N-Éthyl-2-fluoro-N-méthyl-4-{(5R)-5-[2-méthyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-2-propanyl]-5H-chroméno[2,3-b]pyridin-2-yl}benzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 201.74
ACD/KOC (pH 5.5): 1553.67
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.20
ACD/KOC (pH 7.4): 1549.52
Polar Surface Area: 126 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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