ChemSpider 2D Image | Safotibant | C25H34N4O5S

Safotibant

  • Molecular FormulaC25H34N4O5S
  • Average mass502.626 Da
  • Monoisotopic mass502.224976 Da
  • ChemSpider ID10127675

More details:






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

02HU8HWP7U
633698-99-4 [RN]
9479
Acetamide, N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl]methylamino]ethoxy]-N-methyl- [ACD/Index Name]
LF22-0542
N-[4-(4,5-Dihydro-1H-imidazol-2-yl)benzyl]-2-(2-{[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}ethoxy)-N-methylacetamid [German] [ACD/IUPAC Name]
N-[4-(4,5-Dihydro-1H-imidazol-2-yl)benzyl]-2-(2-{[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}ethoxy)-N-methylacetamide [ACD/IUPAC Name]
N-[4-(4,5-Dihydro-1H-imidazol-2-yl)benzyl]-2-(2-{[(4-méthoxy-2,6-diméthylphényl)sulfonyl](méthyl)amino}éthoxy)-N-méthylacétamide [French] [ACD/IUPAC Name]
Safotibant [INN] [Wiki]
Safotibant [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 680.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 11.95
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 15.60
Polar Surface Area: 109 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 406.2±7.0 cm3

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