Found 44 results

Search term: MF = 'C_{14}H_{16}ClN_{7}O_{2}'
ChemSpider 2D Image | 1-{4-[(5-Chloro-2-pyridinyl)carbonyl]-1,4-diazepan-1-yl}-2-(1H-tetrazol-1-yl)ethanone | C14H16ClN7O2

1-{4-[(5-Chloro-2-pyridinyl)carbonyl]-1,4-diazepan-1-yl}-2-(1H-tetrazol-1-yl)ethanone

  • Molecular FormulaC14H16ClN7O2
  • Average mass349.776 Da
  • Monoisotopic mass349.105408 Da
  • ChemSpider ID71326098

More details:

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

1-{4-[(5-Chlor-2-pyridinyl)carbonyl]-1,4-diazepan-1-yl}-2-(1H-tetrazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-{4-[(5-Chloro-2-pyridinyl)carbonyl]-1,4-diazepan-1-yl}-2-(1H-tetrazol-1-yl)ethanone [ACD/IUPAC Name]
1-{4-[(5-Chloro-2-pyridinyl)carbonyl]-1,4-diazépan-1-yl}-2-(1H-tétrazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(5-chloro-2-pyridinyl)carbonyl]hexahydro-1H-1,4-diazepin-1-yl]-2-(1H-tetrazol-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.10
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.10
Polar Surface Area: 97 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 227.5±7.0 cm3

Click to predict properties on the Chemicalize site


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