ChemSpider 2D Image | N-({1-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide | C17H21N5O2S

N-({1-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide

  • Molecular FormulaC17H21N5O2S
  • Average mass359.446 Da
  • Monoisotopic mass359.141602 Da
  • ChemSpider ID28649775

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methanesulfonamide, N-[[1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl]methyl]- [ACD/Index Name]
N-({1-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide [ACD/IUPAC Name]
N-({1-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}méthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-({1-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methansulfonamid [German] [ACD/IUPAC Name]
N-({1-[(1r,2r,4s)-Bicyclo[2.2.1]hept-2-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-2-Yl}methyl)methanesulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.836
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 41.68
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 23.63
ACD/KOC (pH 7.4): 321.45
Polar Surface Area: 101 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 73.8±7.0 dyne/cm
Molar Volume: 212.7±7.0 cm3

Click to predict properties on the Chemicalize site


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