ChemSpider 2D Image | 3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl}benzamide | C30H39N5O4S

3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl}benzamide

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID28640708
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl}benzamid [German] [ACD/IUPAC Name]
3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl}benzamide [ACD/IUPAC Name]
3-(Allylsulfamoyl)-N-{1-[cis-4-(hydroxyméthyl)cyclohexyl]-5-(1-pipéridinylméthyl)-1H-benzimidazol-2-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-1H-benzimidazol-2-yl]-3-[(2-propen-1-ylamino)sulfonyl]- [ACD/Index Name]
N-{1-[cis-4-(Hydroxymethyl)cyclohexyl]-5-(Piperidin-1-Ylmethyl)-1h-Benzimidazol-2-Yl}-3-(Prop-2-En-1-Ylsulfamoyl)benzamide
0US

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 733.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.3±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 41.37
Polar Surface Area: 123 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 421.8±7.0 cm3

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