ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2-pyridinyl)pentanediamide | C33H38N4O6

N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2-pyridinyl)pentanediamide

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID2448441

More details:

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

N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2-pyridinyl)pentandiamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N'-(2-pyridinyl)pentanediamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-[2-(cyclohexylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]-N'-(2-pyridinyl)pentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-(1,3-benzodioxol-5-ylmethyl)-N1-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N5-2-pyridinyl- [ACD/Index Name]

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

ASN 05258169 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 877.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.04
ACD/KOC (pH 5.5): 2288.25
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 351.95
ACD/KOC (pH 7.4): 2313.99
Polar Surface Area: 119 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

Click to predict properties on the Chemicalize site


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