ChemSpider 2D Image | 2-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide | C20H21N7O6S2

2-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC20H21N7O6S2
  • Average mass519.554 Da
  • Monoisotopic mass519.099487 Da
  • ChemSpider ID62442829

More details:

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

2-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-morpholinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3-nitrophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-morpholinylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 225.98
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.65
ACD/KOC (pH 7.4): 225.97
Polar Surface Area: 212 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 78.8±7.0 dyne/cm
Molar Volume: 316.5±7.0 cm3

Click to predict properties on the Chemicalize site


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