ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-N-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-2-(1H-indol-3-yl)acetamide | C33H36N4O4

N-(1,3-Benzodioxol-5-yl)-N-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-2-(1H-indol-3-yl)acetamide

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID2441967

More details:

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

1H-Indole-3-acetamide, N-1,3-benzodioxol-5-yl-N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-N-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-2-(1H-indol-3-yl)acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-N-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-2-(1H-indol-3-yl)acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-N-{2-(cyclohexylamino)-1-[4-(diméthylamino)phényl]-2-oxoéthyl}-2-(1H-indol-3-yl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04882525 [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: 826.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 453.9±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 783.93
ACD/KOC (pH 5.5): 4042.06
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 827.24
ACD/KOC (pH 7.4): 4265.33
Polar Surface Area: 87 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

Click to predict properties on the Chemicalize site


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