ChemSpider 2D Image | Methyl 3-[(1H-benzotriazol-1-ylacetyl){1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]benzoate | C27H29N5O5

Methyl 3-[(1H-benzotriazol-1-ylacetyl){1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]benzoate

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID2450017

More details:

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

3-([2-(1H-Benzotriazol-1-yl)acétyl]{1-(2-furyl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(1H-1,2,3-benzotriazol-1-yl)acetyl][2-[(1,1-dimethylpropyl)amino]-1-(2-furanyl)-2-oxoethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-[(1H-benzotriazol-1-ylacetyl){1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]benzoate [ACD/IUPAC Name]
Methyl-3-[(1H-benzotriazol-1-ylacetyl){1-(2-furyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]benzoat [German] [ACD/IUPAC Name]

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

ASN 05297637 [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: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.85
ACD/KOC (pH 5.5): 1470.73
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.85
ACD/KOC (pH 7.4): 1470.79
Polar Surface Area: 120 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 395.0±7.0 cm3

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