ChemSpider 2D Image | 1-Azepanyl[1-({1-methyl-5-[(4-methyl-1-piperidinyl)carbonyl]-1H-pyrrol-3-yl}sulfonyl)-4-piperidinyl]methanone | C24H38N4O4S

1-Azepanyl[1-({1-methyl-5-[(4-methyl-1-piperidinyl)carbonyl]-1H-pyrrol-3-yl}sulfonyl)-4-piperidinyl]methanone

  • Molecular FormulaC24H38N4O4S
  • Average mass478.648 Da
  • Monoisotopic mass478.261383 Da
  • ChemSpider ID29168186

More details:

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

1-Azepanyl[1-({1-methyl-5-[(4-methyl-1-piperidinyl)carbonyl]-1H-pyrrol-3-yl}sulfonyl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
1-Azepanyl[1-({1-methyl-5-[(4-methyl-1-piperidinyl)carbonyl]-1H-pyrrol-3-yl}sulfonyl)-4-piperidinyl]methanone [ACD/IUPAC Name]
1-Azépanyl[1-({1-méthyl-5-[(4-méthyl-1-pipéridinyl)carbonyl]-1H-pyrrol-3-yl}sulfonyl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (hexahydro-1H-azepin-1-yl)[1-[[1-methyl-5-[(4-methyl-1-piperidinyl)carbonyl]-1H-pyrrol-3-yl]sulfonyl]-4-piperidinyl]- [ACD/Index Name]
(4-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrol-2-yl)(4-methylpiperidino)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.17
ACD/KOC (pH 5.5): 573.83
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.17
ACD/KOC (pH 7.4): 573.83
Polar Surface Area: 91 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


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