ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}amino)-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]carbama te | C34H49N5O5S

2-Methyl-2-propanyl [(2S)-1-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}amino)-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]carbama te

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID9939412

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yl}amino)-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]carbamate de 2-méthyl-2-pro panyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}amino)-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]carbama te [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}amino)-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]carbama t [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(1S,2S,4R)-1-[[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxoethyl]-, 1,1-dim ethylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 147.53
ACD/KOC (pH 5.5): 491.08
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2871.34
ACD/KOC (pH 7.4): 9557.58
Polar Surface Area: 142 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 495.6±5.0 cm3

Click to predict properties on the Chemicalize site


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