ChemSpider 2D Image | 1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol | C27H32N4O6S

1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID4451202

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol
4-Pyridinecarboxamide, N-[(1S)-1-[[[(2R)-2-hydroxy-3-[[(4-phenoxyphenyl)sulfonyl]amino]propyl]amino]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-[(2R)-2-Hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N2-isonicotinoyl-L-leucinamid [German] [ACD/IUPAC Name]
N-[(2R)-2-Hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N2-isonicotinoyl-L-leucinamide [ACD/IUPAC Name]
N-[(2R)-2-Hydroxy-3-{[(4-phénoxyphényl)sulfonyl]amino}propyl]-N2-isonicotinoyl-L-leucinamide [French] [ACD/IUPAC Name]
POS

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.08
ACD/KOC (pH 5.5): 596.52
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.35
ACD/KOC (pH 7.4): 599.44
Polar Surface Area: 155 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 425.2±3.0 cm3

Click to predict properties on the Chemicalize site


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