ChemSpider 2D Image | (6R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinone | C30H34ClN5O5S

(6R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinone

  • Molecular FormulaC30H34ClN5O5S
  • Average mass612.140 Da
  • Monoisotopic mass611.196899 Da
  • ChemSpider ID393731
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6R)-4-[(6-Chlor-2-naphthyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinon [German] [ACD/IUPAC Name]
(6R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-2-piperazinone [ACD/IUPAC Name]
(6R)-4-[(6-Chloro-2-naphtyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-{[1-(4-pyridinyl)-4-pipéridinyl]méthyl}-2-pipérazinone [French] [ACD/IUPAC Name]
2-Piperazinone, 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-(4-morpholinylcarbonyl)-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-, (6R)- [ACD/Index Name]
4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE
XMC

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 863.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 476.3±37.1 °C
Index of Refraction: 1.649
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 6.95
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 7.67
Polar Surface Area: 112 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 442.8±3.0 cm3

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