ChemSpider 2D Image | 2-[5-(1-Pyrrolidinylmethyl)-1H-tetrazol-1-yl]-1-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]ethanone | C22H31N7O

2-[5-(1-Pyrrolidinylmethyl)-1H-tetrazol-1-yl]-1-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC22H31N7O
  • Average mass409.528 Da
  • Monoisotopic mass409.259003 Da
  • ChemSpider ID22413786

More details:

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

2-[5-(1-Pyrrolidinylméthyl)-1H-tétrazol-1-yl]-1-[4-(1,2,3,4-tétrahydro-2-naphtalényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
2-[5-(1-Pyrrolidinylmethyl)-1H-tetrazol-1-yl]-1-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-[5-(1-Pyrrolidinylmethyl)-1H-tetrazol-1-yl]-1-[4-(1,2,3,4-tetrahydro-2-naphthalinyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]-1-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]- [ACD/Index Name]
1-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-4-(1,2,3,4-tetrahydro-2-naphthalenyl)piperazine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 57.52
Polar Surface Area: 70 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 298.5±7.0 cm3

Click to predict properties on the Chemicalize site


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