ChemSpider 2D Image | 2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-9-[2-(1-methyl-4-piperidinyl)-1-pyrrolidinyl]-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine | C25H34N8O

2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-9-[2-(1-methyl-4-piperidinyl)-1-pyrrolidinyl]-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine

  • Molecular FormulaC25H34N8O
  • Average mass462.591 Da
  • Monoisotopic mass462.285553 Da
  • ChemSpider ID58891436

More details:

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

2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-9-[2-(1-methyl-4-piperidinyl)-1-pyrrolidinyl]-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin [German] [ACD/IUPAC Name]
2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-9-[2-(1-methyl-4-piperidinyl)-1-pyrrolidinyl]-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine [ACD/IUPAC Name]
2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-9-[2-(1-méthyl-4-pipéridinyl)-1-pyrrolidinyl]-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazépine [French] [ACD/IUPAC Name]
Imidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine, 5,6-dihydro-2-[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]-9-[2-(1-methyl-4-piperidinyl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.5±35.7 °C
Index of Refraction: 1.729
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 77 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 329.4±7.0 cm3

Click to predict properties on the Chemicalize site


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