ChemSpider 2D Image | 2-[(9-Benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide | C27H26N6O4S2

2-[(9-Benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID1204598

More details:

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

2-[(9-Benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[(9-Benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
2-[(9-Benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, N-[4-(4-morpholinylsulfonyl)phenyl]-2-[[9-(phenylmethyl)-9H-1,2,4-triazolo[4,3-a]benzimidazol-3-yl]thio]- [ACD/Index Name]

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

ASN 06941770 [DBID]
ZINC01364881 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1192.11
ACD/KOC (pH 5.5): 5523.39
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1205.71
ACD/KOC (pH 7.4): 5586.42
Polar Surface Area: 145 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 380.5±7.0 cm3

Click to predict properties on the Chemicalize site


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