ChemSpider 2D Image | Methyl 4-(1-{(1H-benzotriazol-1-ylacetyl)[2-(3-methylphenyl)ethyl]amino}-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl)benzoate | C32H35N5O5

Methyl 4-(1-{(1H-benzotriazol-1-ylacetyl)[2-(3-methylphenyl)ethyl]amino}-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl)benzoate

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID2433020

More details:

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

4-(1-{[2-(1H-Benzotriazol-1-yl)acétyl][2-(3-méthylphényl)éthyl]amino}-2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[[2-(1H-1,2,3-benzotriazol-1-yl)acetyl][2-(3-methylphenyl)ethyl]amino]-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]-, methyl ester [ACD/Index Name]
Methyl 4-(1-{(1H-benzotriazol-1-ylacetyl)[2-(3-methylphenyl)ethyl]amino}-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl)benzoate [ACD/IUPAC Name]
Methyl-4-(1-{(1H-benzotriazol-1-ylacetyl)[2-(3-methylphenyl)ethyl]amino}-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl)benzoat [German] [ACD/IUPAC Name]

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

ASN 04060226 [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: 826.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 453.9±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.97
ACD/KOC (pH 5.5): 3279.96
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 573.00
ACD/KOC (pH 7.4): 3280.13
Polar Surface Area: 116 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 443.0±7.0 cm3

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