ChemSpider 2D Image | N-Cyclopentyl-3'-({[(1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}methyl)-1H,4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]-1-carboxamide | C21H30N8O3

N-Cyclopentyl-3'-({[(1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}methyl)-1H,4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]-1-carboxamide

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID84446326

More details:

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

N-Cyclopentyl-3'-({[(1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}methyl)-1H,4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazine]-1-carboxamide [ACD/IUPAC Name]
Spiro[pyrrolidine-3,6'(7'H)-[4H][1,2,3]triazolo[5,1-c][1,4]oxazine]-1-carboxamide, N-cyclopentyl-3'-[[[(1-ethyl-1H-pyrazol-5-yl)carbonyl]amino]methyl]- [ACD/Index Name]
N-cyclopentyl-3-[[(2-ethylpyrazole-3-carbonyl)amino]methyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.67
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.67
Polar Surface Area: 119 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 289.3±7.0 cm3

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