Found 69 results

Search term: MF = 'C_{31}H_{38}ClN_{3}O_{4}'
ChemSpider 2D Image | 1-(2-{4-[(3-Chlorophenoxy)methyl]-4-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperidinyl}-2-oxoethyl)-2-azepanone | C31H38ClN3O4

1-(2-{4-[(3-Chlorophenoxy)methyl]-4-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperidinyl}-2-oxoethyl)-2-azepanone

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID68373967

More details:

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

1-(2-{4-[(3-Chlorophénoxy)méthyl]-4-[2-(3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]-1-pipéridinyl}-2-oxoéthyl)-2-azépanone [French] [ACD/IUPAC Name]
1-(2-{4-[(3-Chlorophenoxy)methyl]-4-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperidinyl}-2-oxoethyl)-2-azepanone [ACD/IUPAC Name]
1-(2-{4-[(3-Chlorphenoxy)methyl]-4-[2-(3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl]-1-piperidinyl}-2-oxoethyl)-2-azepanon [German] [ACD/IUPAC Name]
2H-Azepin-2-one, 1-[2-[4-[(3-chlorophenoxy)methyl]-4-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperidinyl]-2-oxoethyl]hexahydro- [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: 775.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2318.88
ACD/KOC (pH 5.5): 8921.99
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2318.88
ACD/KOC (pH 7.4): 8922.01
Polar Surface Area: 70 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 451.0±3.0 cm3

Click to predict properties on the Chemicalize site


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