ChemSpider 2D Image | (4-Cyclohexyl-1-piperazinyl){1,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl}methanone | C23H38N4O3S

(4-Cyclohexyl-1-piperazinyl){1,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl}methanone

  • Molecular FormulaC23H38N4O3S
  • Average mass450.638 Da
  • Monoisotopic mass450.266449 Da
  • ChemSpider ID28955024

More details:

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

(4-Cyclohexyl-1-piperazinyl){1,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl}methanon [German] [ACD/IUPAC Name]
(4-Cyclohexyl-1-piperazinyl){1,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl}methanone [ACD/IUPAC Name]
(4-Cyclohexyl-1-pipérazinyl){1,5-diméthyl-4-[(4-méthyl-1-pipéridinyl)sulfonyl]-1H-pyrrol-2-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-cyclohexyl-1-piperazinyl)[1,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl]- [ACD/Index Name]
1-cyclohexyl-4-({1,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrol-2-yl}carbonyl)piperazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 5.68
ACD/KOC (pH 5.5): 53.72
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 81.32
ACD/KOC (pH 7.4): 768.53
Polar Surface Area: 74 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 346.7±7.0 cm3

Click to predict properties on the Chemicalize site


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