ChemSpider 2D Image | 4-Chloro-N-(2-{4-[6-(4-fluorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropylbenzamide | C27H29ClFN5O2

4-Chloro-N-(2-{4-[6-(4-fluorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropylbenzamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID22654410

More details:

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

4-Chlor-N-(2-{4-[6-(4-fluorphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropylbenzamid [German] [ACD/IUPAC Name]
4-Chloro-N-(2-{4-[6-(4-fluorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropylbenzamide [ACD/IUPAC Name]
4-Chloro-N-(2-{4-[6-(4-fluorophényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-N-isopropylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[2-[4-[6-(4-fluorophenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-N-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.4±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 162.87
ACD/KOC (pH 5.5): 1109.23
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.44
ACD/KOC (pH 7.4): 2093.81
Polar Surface Area: 70 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 402.7±3.0 cm3

Click to predict properties on the Chemicalize site


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