ChemSpider 2D Image | (8'S,9a'S)-1-(Cyclohexylmethyl)-8'-[(2,2-dimethylpropyl)(methyl)amino]tetrahydrospiro[piperidine-4,3'-pyrrolo[1,2-a][1,4]diazepine]-1',5'(2'H,4'H)-dione | C25H44N4O2

(8'S,9a'S)-1-(Cyclohexylmethyl)-8'-[(2,2-dimethylpropyl)(methyl)amino]tetrahydrospiro[piperidine-4,3'-pyrrolo[1,2-a][1,4]diazepine]-1',5'(2'H,4'H)-dione

  • Molecular FormulaC25H44N4O2
  • Average mass432.642 Da
  • Monoisotopic mass432.346436 Da
  • ChemSpider ID114928847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8'S,9a'S)-1-(Cyclohexylmethyl)-8'-[(2,2-dimethylpropyl)(methyl)amino]tetrahydrospiro[piperidine-4,3'-pyrrolo[1,2-a][1,4]diazepine]-1',5'(2'H,4'H)-dione [ACD/IUPAC Name]
Spiro[piperidine-4,3'-[3H]pyrrolo[1,2-a][1,4]diazepine]-1',5'(2'H,4'H)-dione, 1-(cyclohexylmethyl)-8'-[(2,2-dimethylpropyl)methylamino]tetrahydro-, (8'S,9a'S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 56 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

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