ChemSpider 2D Image | 6-(Dibenzo[b,d]thiophen-4-yl)-N-(3,4-dimethoxybenzyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]nicotinamide | C33H34N4O4S

6-(Dibenzo[b,d]thiophen-4-yl)-N-(3,4-dimethoxybenzyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]nicotinamide

  • Molecular FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID22157623

More details:

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

3-Pyridinecarboxamide, 6-(dibenzo[b,d]thien-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)-1-piperazinyl]- [ACD/Index Name]
6-(Dibenzo[b,d]thiophen-4-yl)-N-(3,4-dimethoxybenzyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]nicotinamid [German] [ACD/IUPAC Name]
6-(Dibenzo[b,d]thiophen-4-yl)-N-(3,4-dimethoxybenzyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]nicotinamide [ACD/IUPAC Name]
6-(Dibenzo[b,d]thiophén-4-yl)-N-(3,4-diméthoxybenzyl)-2-[4-(2-hydroxyéthyl)-1-pipérazinyl]nicotinamide [French] [ACD/IUPAC Name]
6-dibenzo[b,d]thien-4-yl-N-(3,4-dimethoxybenzyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]nicotinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 820.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 450.1±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 130.60
ACD/KOC (pH 5.5): 518.97
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1795.65
ACD/KOC (pH 7.4): 7135.50
Polar Surface Area: 115 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 453.1±3.0 cm3

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