ChemSpider 2D Image | (4-Ethyl-1-piperazinyl)(1-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-piperidinyl)methanone | C22H35N5O4S

(4-Ethyl-1-piperazinyl)(1-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-piperidinyl)methanone

  • Molecular FormulaC22H35N5O4S
  • Average mass465.609 Da
  • Monoisotopic mass465.240967 Da
  • ChemSpider ID28375127

More details:

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

(4-Ethyl-1-piperazinyl)(1-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-piperidinyl)methanon [German] [ACD/IUPAC Name]
(4-Ethyl-1-piperazinyl)(1-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-piperidinyl)methanone [ACD/IUPAC Name]
(4-Éthyl-1-pipérazinyl)(1-{[1-méthyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-ethyl-1-piperazinyl)[1-[[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-pyrrol-3-yl]sulfonyl]-4-piperidinyl]- [ACD/Index Name]
[4-({4-[(4-ethylpiperazino)carbonyl]piperidino}sulfonyl)-1-methyl-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.4±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.96
Polar Surface Area: 95 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 339.5±7.0 cm3

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