ChemSpider 2D Image | Velusetrag | C25H36N4O5S

Velusetrag

  • Molecular FormulaC25H36N4O5S
  • Average mass504.642 Da
  • Monoisotopic mass504.240631 Da
  • ChemSpider ID28527582
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-Quinolinecarboxamide, 1,2-dihydro-N-[(3-endo)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo- [ACD/Index Name]
866933-46-2 [RN]
9131
J4VNV64ARB
N-[(3-endo)-8-{(2R)-2-Hydroxy-3-[methyl(methylsulfonyl)amino]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[(3-endo)-8-{(2R)-2-Hydroxy-3-[méthyl(méthylsulfonyl)amino]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(3-endo)-8-{(2R)-2-Hydroxy-3-[methyl(methylsulfonyl)amino]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
velusetrag [Spanish] [INN]
vélusétrag [French] [INN]
More...

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

TD-5108 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 119 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

Click to predict properties on the Chemicalize site





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