ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-(2-methoxyethyl)acetamide | C28H31N5O4

2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-(2-methoxyethyl)acetamide

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID2448972

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(2-ethoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(2-methoxyethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-(2-methoxyethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-(2-methoxyethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(benzylamino)-1-(2-éthoxyphényl)-2-oxoéthyl]-N-(2-méthoxyéthyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05293869 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 764.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.54
ACD/KOC (pH 5.5): 2474.64
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.56
ACD/KOC (pH 7.4): 2474.76
Polar Surface Area: 99 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 410.2±7.0 cm3

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