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

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

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID2449921

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-yl-N-[2-[(1,1-dimethylpropyl)amino]-1-(5-methyl-2-furanyl)-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methyl-2-butanyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-méthyl-2-butanyl)amino]-1-(5-méthyl-2-furyl)-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05297427 [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: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 185.26
ACD/KOC (pH 5.5): 1461.76
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.26
ACD/KOC (pH 7.4): 1461.82
Polar Surface Area: 112 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 375.7±7.0 cm3

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