ChemSpider 2D Image | 2-({4-Amino-5-[(2E)-2-(3-hydroxy-4-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide | C18H18N8O5S

2-({4-Amino-5-[(2E)-2-(3-hydroxy-4-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide

  • Molecular FormulaC18H18N8O5S
  • Average mass458.451 Da
  • Monoisotopic mass458.112091 Da
  • ChemSpider ID62589652

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-Amino-5-[(2E)-2-(3-hydroxy-4-methoxybenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(3-hydroxy-4-methoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide [ACD/IUPAC Name]
2-({4-Amino-5-[(2E)-2-(3-hydroxy-4-méthoxybenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-[(2E)-2-[(3-hydroxy-4-methoxyphenyl)methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)- [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: 1.734
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.92
ACD/KOC (pH 5.5): 469.12
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.34
ACD/KOC (pH 7.4): 461.92
Polar Surface Area: 211 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 287.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement