ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(2,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide | C28H33N5O5

2-(1H-Benzotriazol-1-yl)-N-{1-(2,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID2449558

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(2,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl]-N-(2-furanylmethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2,4-diméthoxyphényl)-2-[(3-méthylbutyl)amino]-2-oxoéthyl}-N-(2-furylméthyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05296356 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.14
ACD/KOC (pH 5.5): 2750.92
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.16
ACD/KOC (pH 7.4): 2751.06
Polar Surface Area: 112 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

Click to predict properties on the Chemicalize site


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