ChemSpider 2D Image | 1-[4-({4-[({(2S)-2-Hydroxy-3-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)methyl]-1-piperidinyl}sulfonyl)phenyl]-3-octylurea | C32H47N5O6S

1-[4-({4-[({(2S)-2-Hydroxy-3-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)methyl]-1-piperidinyl}sulfonyl)phenyl]-3-octylurea

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID8386887

  • 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-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)methyl]-1-piperidinyl}sulfonyl)phenyl]-3-octylharnstoff [German] [ACD/IUPAC Name]
1-[4-({4-[({(2S)-2-Hydroxy-3-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)methyl]-1-piperidinyl}sulfonyl)phenyl]-3-octylurea [ACD/IUPAC Name]
1-[4-({4-[({(2S)-2-Hydroxy-3-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)méthyl]-1-pipéridinyl}sulfonyl)phényl]-3-octylurée [French] [ACD/IUPAC Name]
1-[4-({4-[({(2S)-2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-indol-4-yl)oxy]propyl}amino)methyl]piperidin-1-yl}sulfonyl)phenyl]-3-octylurea
Urea, N-[4-[[4-[[[(2S)-3-[(2,3-dihydro-2-oxo-1H-indol-4-yl)oxy]-2-hydroxypropyl]amino]methyl]-1-piperidinyl]sulfonyl]phenyl]-N'-octyl- [ACD/Index Name]
1-[4-(4-{[(S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-indol-4-yloxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-octyl-urea
CHEMBL98266

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 170.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 14.27
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 119.09
ACD/KOC (pH 7.4): 417.97
Polar Surface Area: 157 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 509.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement