Found 619 results

Search term: MF = 'C_{22}H_{32}ClN_{3}O_{3}'
ChemSpider 2D Image | 1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-one | C22H32ClN3O3

1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-one

  • Molecular FormulaC22H32ClN3O3
  • Average mass421.961 Da
  • Monoisotopic mass421.213226 Da
  • ChemSpider ID52567763

More details:

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

1-[2-(4-Chlor-2-methylphenoxy)propanoyl]-4-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-one [ACD/IUPAC Name]
1-[2-(4-Chloro-2-méthylphénoxy)propanoyl]-4-[2-(1-pipéridinyl)éthyl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, 1-[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]hexahydro-4-[2-(1-piperidinyl)ethyl]- [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: 616.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 61.93
Polar Surface Area: 53 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 358.7±3.0 cm3

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