ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C29H35N5O5

2-(1H-Benzotriazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID2449998

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-[(1,1-dimethylpropyl)amino]-1-(2-furanyl)-2-oxoethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3,4-diméthoxyphényl)éthyl]-N-{1-(2-furyl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05297607 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 439.86
ACD/KOC (pH 5.5): 2714.45
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 439.88
ACD/KOC (pH 7.4): 2714.59
Polar Surface Area: 112 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 435.4±7.0 cm3

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