ChemSpider 2D Image | 2-{4-[(E)-({3-[(2-Amino-2-oxoethyl)sulfanyl]-5-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenoxy}-N,N-dipropylacetamide | C23H34N6O5S

2-{4-[(E)-({3-[(2-Amino-2-oxoethyl)sulfanyl]-5-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenoxy}-N,N-dipropylacetamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID126581291
  • Double-bond stereo - Double-bond stereo


More details:






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

2-{4-[(E)-({3-[(2-Amino-2-oxoethyl)sulfanyl]-5-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenoxy}-N,N-dipropylacetamid [German] [ACD/IUPAC Name]
2-{4-[(E)-({3-[(2-Amino-2-oxoethyl)sulfanyl]-5-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenoxy}-N,N-dipropylacetamide [ACD/IUPAC Name]
2-{4-[(E)-({3-[(2-Amino-2-oxoéthyl)sulfanyl]-5-(2-méthoxyéthyl)-4H-1,2,4-triazol-4-yl}imino)méthyl]-2-méthoxyphénoxy}-N,N-dipropylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[(E)-[[3-[(2-amino-2-oxoethyl)thio]-5-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]imino]methyl]-2-methoxyphenoxy]-N,N-dipropyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.62
ACD/KOC (pH 5.5): 201.45
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.63
ACD/KOC (pH 7.4): 201.49
Polar Surface Area: 159 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 402.9±7.0 cm3

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