ChemSpider 2D Image | 3-{[(2-Ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino}-5-(isopropylsulfamoyl)-N-[(3S)-2-oxo-3-azepanyl]benzamide | C23H34N6O4S

3-{[(2-Ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino}-5-(isopropylsulfamoyl)-N-[(3S)-2-oxo-3-azepanyl]benzamide

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID23036864

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(2-Ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino}-5-(isopropylsulfamoyl)-N-[(3S)-2-oxo-3-azepanyl]benzamid [German] [ACD/IUPAC Name]
3-{[(2-Ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino}-5-(isopropylsulfamoyl)-N-[(3S)-2-oxo-3-azepanyl]benzamide [ACD/IUPAC Name]
3-{[(2-Éthyl-4-méthyl-1H-imidazol-5-yl)méthyl]amino}-5-(isopropylsulfamoyl)-N-[(3S)-2-oxo-3-azépanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-5-[[(1-methylethyl)amino]sulfonyl]- [ACD/Index Name]
3-{[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]amino}-5-[(isopropylamino)sulfonyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide

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: 1.609
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.43
Polar Surface Area: 153 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 374.4±5.0 cm3

Click to predict properties on the Chemicalize site


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