ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(2-furyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}acetamide | C27H29N5O5

N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(2-furyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}acetamide

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID2449746

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(2-furanyl)-2-[(3-methylbutyl)amino]-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(2-furyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(2-furyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(1H-benzotriazol-1-yl)-N-{1-(2-furyl)-2-[(3-méthylbutyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05296885 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.45
ACD/KOC (pH 5.5): 1693.03
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.46
ACD/KOC (pH 7.4): 1693.11
Polar Surface Area: 112 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 372.1±7.0 cm3

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