ChemSpider 2D Image | 1-Butyl-5-(4-morpholinylsulfonyl)-2-{[(1-naphthylmethyl)sulfanyl]methyl}-1H-benzimidazole | C27H31N3O3S2

1-Butyl-5-(4-morpholinylsulfonyl)-2-{[(1-naphthylmethyl)sulfanyl]methyl}-1H-benzimidazole

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID2571179

More details:

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

1-Butyl-5-(4-morpholinylsulfonyl)-2-{[(1-naphthylmethyl)sulfanyl]methyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-Butyl-5-(4-morpholinylsulfonyl)-2-{[(1-naphthylmethyl)sulfanyl]methyl}-1H-benzimidazole [ACD/IUPAC Name]
1-Butyl-5-(4-morpholinylsulfonyl)-2-{[(1-naphtylméthyl)sulfanyl]méthyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 1-butyl-5-(4-morpholinylsulfonyl)-2-[[(1-naphthalenylmethyl)thio]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.2±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12035.20
ACD/KOC (pH 5.5): 28705.08
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12468.09
ACD/KOC (pH 7.4): 29737.55
Polar Surface Area: 98 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 390.9±7.0 cm3

Click to predict properties on the Chemicalize site


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