ChemSpider 2D Image | (2S)-1-[5-(2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-1-propanone | C22H23N3O6S

(2S)-1-[5-(2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-1-propanone

  • Molecular FormulaC22H23N3O6S
  • Average mass457.500 Da
  • Monoisotopic mass457.130768 Da
  • ChemSpider ID115009606

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[5-(2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-[5-(2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-1-propanone [ACD/IUPAC Name]
(2S)-1-[5-(2,3-Dihydro[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-3,4,5,6-tétrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[5-[(2,3-dihydro-1,4-dioxino[2,3-b]pyridin-7-yl)sulfonyl]-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-, (2S)- [ACD/Index Name]
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
2245053-57-8 [RN]
Etavopivat

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

Density: 1.5±0.1 g/cm3
Boiling Point: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.96
ACD/KOC (pH 5.5): 285.98
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.97
ACD/KOC (pH 7.4): 286.02
Polar Surface Area: 118 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 297.1±5.0 cm3

Click to predict properties on the Chemicalize site


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