ChemSpider 2D Image | 2-Hydroxy-N-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-3-{4-[(methylsulfonyl)amino]phenoxy}-1-propanaminium | C21H27N4O5S

2-Hydroxy-N-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-3-{4-[(methylsulfonyl)amino]phenoxy}-1-propanaminium

  • Molecular FormulaC21H27N4O5S
  • Average mass447.527 Da
  • Monoisotopic mass447.169678 Da
  • ChemSpider ID21218279

  • Charge - Charge

More details:

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

1-Propanaminium, 2-hydroxy-N-[2-[4-(1H-imidazol-1-yl)phenoxy]ethyl]-3-[4-[(methylsulfonyl)amino]phenoxy]- [ACD/Index Name]
2-Hydroxy-N-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-3-{4-[(methylsulfonyl)amino]phenoxy}-1-propanaminium [ACD/IUPAC Name]
2-Hydroxy-N-{2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}-3-{4-[(methylsulfonyl)amino]phenoxy}-1-propanaminium [German] [ACD/IUPAC Name]
2-Hydroxy-N-{2-[4-(1H-imidazol-1-yl)phénoxy]éthyl}-3-{4-[(méthylsulfonyl)amino]phénoxy}-1-propanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 689.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.67
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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