ChemSpider 2D Image | 2-(1-Isopropyl-4-piperidinyl)-1-{2-[(2-methyl-2-propanyl)amino]-4,5-dihydro-1'H-spiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl}ethanone | C26H41N5O

2-(1-Isopropyl-4-piperidinyl)-1-{2-[(2-methyl-2-propanyl)amino]-4,5-dihydro-1'H-spiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl}ethanone

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID64873165

More details:

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

2-(1-Isopropyl-4-piperidinyl)-1-{2-[(2-methyl-2-propanyl)amino]-4,5-dihydro-1'H-spiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl}ethanon [German] [ACD/IUPAC Name]
2-(1-Isopropyl-4-piperidinyl)-1-{2-[(2-methyl-2-propanyl)amino]-4,5-dihydro-1'H-spiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl}ethanone [ACD/IUPAC Name]
2-(1-Isopropyl-4-pipéridinyl)-1-{2-[(2-méthyl-2-propanyl)amino]-4,5-dihydro-1'H-spiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[(1,1-dimethylethyl)amino]-4,5-dihydrospiro[3H-1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-[1-(1-methylethyl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.84
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): 1.00
Polar Surface Area: 60 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 376.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement