ChemSpider 2D Image | Allyl 4-methyl-2-{[({2-[(1H-1,2,4-triazol-3-ylcarbamoyl)amino]-3-pyridinyl}oxy)acetyl]amino}-1,3-thiazole-5-carboxylate | C18H18N8O5S

Allyl 4-methyl-2-{[({2-[(1H-1,2,4-triazol-3-ylcarbamoyl)amino]-3-pyridinyl}oxy)acetyl]amino}-1,3-thiazole-5-carboxylate

  • Molecular FormulaC18H18N8O5S
  • Average mass458.451 Da
  • Monoisotopic mass458.112091 Da
  • ChemSpider ID66002012

More details:

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

4-Méthyl-2-{[2-({2-[(1H-1,2,4-triazol-3-ylcarbamoyl)amino]-3-pyridinyl}oxy)acétyl]amino}-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[[2-[[2-[[(1H-1,2,4-triazol-3-ylamino)carbonyl]amino]-3-pyridinyl]oxy]acetyl]amino]-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 4-methyl-2-{[({2-[(1H-1,2,4-triazol-3-ylcarbamoyl)amino]-3-pyridinyl}oxy)acetyl]amino}-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-4-methyl-2-{[({2-[(1H-1,2,4-triazol-3-ylcarbamoyl)amino]-3-pyridinyl}oxy)acetyl]amino}-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC 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: 1.721
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.69
ACD/KOC (pH 5.5): 147.92
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 43.25
Polar Surface Area: 201 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement