ChemSpider 2D Image | 4-[(4-Methyl-1-piperazinyl)sulfonyl]-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-2-nitroaniline | C20H28N6O4S

4-[(4-Methyl-1-piperazinyl)sulfonyl]-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-2-nitroaniline

  • Molecular FormulaC20H28N6O4S
  • Average mass448.539 Da
  • Monoisotopic mass448.189270 Da
  • ChemSpider ID30393594

More details:

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

4-[(4-Methyl-1-piperazinyl)sulfonyl]-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-2-nitroanilin [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)sulfonyl]-N-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methyl]-2-nitroaniline [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)sulfonyl]-N-[(3-méthyl-5,6,7,8-tétrahydroimidazo[1,5-a]pyridin-1-yl)méthyl]-2-nitroaniline [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyridine-1-methanamine, 5,6,7,8-tetrahydro-3-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 671.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.8±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 41.42
ACD/KOC (pH 7.4): 425.53
Polar Surface Area: 125 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

Click to predict properties on the Chemicalize site


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