ChemSpider 2D Image | 1-(4-{[4-({[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}methyl)piperidin-1-yl]sulfonyl}phenyl)-3-pyridin-2-ylurea | C27H33N5O6S

1-(4-{[4-({[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}methyl)piperidin-1-yl]sulfonyl}phenyl)-3-pyridin-2-ylurea

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID8341818

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(4-{[4-({[(2S)-2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}methyl)-1-piperidinyl]sulfonyl}phenyl)-3-(2-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-{[4-({[(2S)-2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}methyl)-1-piperidinyl]sulfonyl}phenyl)-3-(2-pyridinyl)urea [ACD/IUPAC Name]
1-(4-{[4-({[(2S)-2-Hydroxy-3-(4-hydroxyphénoxy)propyl]amino}méthyl)-1-pipéridinyl]sulfonyl}phényl)-3-(2-pyridinyl)urée [French] [ACD/IUPAC Name]
1-(4-{[4-({[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}methyl)piperidin-1-yl]sulfonyl}phenyl)-3-pyridin-2-ylurea
Urea, N-[4-[[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]-1-piperidinyl]sulfonyl]phenyl]-N'-2-pyridinyl- [ACD/Index Name]
1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-pyridin-2-yl-urea
CHEMBL101132

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.69
Polar Surface Area: 162 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 402.5±3.0 cm3

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