ChemSpider 2D Image | (2S)-2-{[4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-5-nitrophenyl)propanamide | C16H15ClN6O4S

(2S)-2-{[4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-5-nitrophenyl)propanamide

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID62368277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlor-5-nitrophenyl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-{[4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-5-nitrophenyl)propanamide [ACD/IUPAC Name]
(2S)-2-{[4-Amino-5-(2-méthyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-5-nitrophényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[4-amino-5-(2-methyl-3-furanyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-chloro-5-nitrophenyl)-, (2S)- [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: 1.738
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.57
ACD/KOC (pH 5.5): 868.87
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.56
ACD/KOC (pH 7.4): 868.76
Polar Surface Area: 170 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 257.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement