ChemSpider 2D Image | (3S)-6-(2,5-Difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide | C25H21F2N3O5S

(3S)-6-(2,5-Difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide

  • Molecular FormulaC25H21F2N3O5S
  • Average mass513.513 Da
  • Monoisotopic mass513.117004 Da
  • ChemSpider ID34547997
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-6-(2,5-Difluorbenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3,6-dihydro-2H-furo[2,3-e]indol-7-carboxamid [German] [ACD/IUPAC Name]
(3S)-6-(2,5-Difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide [ACD/IUPAC Name]
(3S)-6-(2,5-Difluorobenzyl)-3-méthyl-N-(méthylsulfonyl)-8-(2-oxo-1,2-dihydro-3-pyridinyl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide [French] [ACD/IUPAC Name]
(3s)-6-(2,5-Difluorobenzyl)-3-Methyl-N-(Methylsulfonyl)-8-(2-Oxo-1,2-Dihydropyridin-3-Yl)-3,6-Dihydro-2h-Furo[2,3-E]indole-7-Carboxamide
2H-Furo[2,3-e]indole-7-carboxamide, 6-[(2,5-difluorophenyl)methyl]-8-(1,2-dihydro-2-oxo-3-pyridinyl)-3,6-dihydro-3-methyl-N-(methylsulfonyl)-, (3S)- [ACD/Index Name]
0C2

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 115 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 337.6±7.0 cm3

Click to predict properties on the Chemicalize site






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