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Search term: DATA_SOURCE in ('Nicolas B. Andersen')

ChemSpider 2D Image | AX211 | C16H15ClN6O4S

AX211

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID28534170
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

4-{[(3S)-7-Chlor-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-methyl-4,5,6,8-tetrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-on [German] [ACD/IUPAC Name]
4-{[(3S)-7-Chloro-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-methyl-4,5,6,8-tetrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one [ACD/IUPAC Name]
4-{[(3S)-7-Chloro-1,1-dioxydo-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-méthyl-4,5,6,8-tétrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one [French] [ACD/IUPAC Name]
7-chloro-3-({8-methyl-11-oxo-3,5,7,10- tetraazatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),4- trien-7-yl}oxy)-3,4-dihydro-2H-1λ⁶,2,4- benzothiadiazine-1,1-dione
AX211
Imidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one, 4-[[(3S)-7-chloro-3,4-dihydro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl]oxy]-4,5,6,8-tetrahydro-5-methyl- [ACD/Index Name]
Xelomyzine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.779
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.39
Polar Surface Area: 137 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 236.7±5.0 cm3

Click to predict properties on the Chemicalize site





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