ChemSpider 2D Image | [(3R,4S)-1-[(4-Methoxyphenyl)sulfonyl]-3-(2-{[2-(4-morpholinyl)ethyl](phenyl)amino}ethyl)-4-piperidinyl]acetic acid | C28H39N3O6S

[(3R,4S)-1-[(4-Methoxyphenyl)sulfonyl]-3-(2-{[2-(4-morpholinyl)ethyl](phenyl)amino}ethyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID22806446

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4S)-1-[(4-Methoxyphenyl)sulfonyl]-3-(2-{[2-(4-morpholinyl)ethyl](phenyl)amino}ethyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
[(3R,4S)-1-[(4-Methoxyphenyl)sulfonyl]-3-(2-{[2-(4-morpholinyl)ethyl](phenyl)amino}ethyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[(4-methoxyphenyl)sulfonyl]-3-[2-[[2-(4-morpholinyl)ethyl]phenylamino]ethyl]-, (3R,4S)- [ACD/Index Name]
Acide [(3R,4S)-1-[(4-méthoxyphényl)sulfonyl]-3-(2-{[2-(4-morpholinyl)éthyl](phényl)amino}éthyl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.3±35.7 °C
Index of Refraction: 1.580
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 21.86
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 108 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


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