ChemSpider 2D Image | 2-Fluoro-N,N-dimethyl-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 | C27H24FN5O3S

2-Fluoro-N,N-dimethyl-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 FormulaC27H24FN5O3S
  • Average mass517.575 Da
  • Monoisotopic mass517.158386 Da
  • ChemSpider ID28480300

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Fluor-N,N-dimethyl-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]
2-Fluoro-N,N-dimethyl-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]
2-Fluoro-N,N-diméthyl-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]
5H-[1]Benzopyrano[2,3-b]pyridine-5-acetamide, 2-[4-[(dimethylamino)carbonyl]-3-fluorophenyl]-α,α-dimethyl-N-1,3,4-thiadiazol-2-yl-, (5R)- [ACD/Index Name]

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: 1.653
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.65
ACD/KOC (pH 5.5): 931.07
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.39
ACD/KOC (pH 7.4): 928.59
Polar Surface Area: 126 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

Click to predict properties on the Chemicalize site


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