ChemSpider 2D Image | (3aR,6aR)-2-Cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide | C18H30N6O

(3aR,6aR)-2-Cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

  • Molecular FormulaC18H30N6O
  • Average mass346.470 Da
  • Monoisotopic mass346.248108 Da
  • ChemSpider ID29622808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aR)-2-Cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-carboxamid [German] [ACD/IUPAC Name]
(3aR,6aR)-2-Cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide [ACD/IUPAC Name]
(3aR,6aR)-2-Cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)méthyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide, 2-cyclopentylhexahydro-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-, (3aR,6aR)- [ACD/Index Name]
(3aR*,6aR*)-2-cyclopentyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

Click to predict properties on the Chemicalize site


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