ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | C32H35N5O5

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID2432894

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(4-éthoxyphényl)-2-oxoéthyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04059674 [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: 829.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.4±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 157.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.11
ACD/KOC (pH 5.5): 3243.58
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.14
ACD/KOC (pH 7.4): 3243.72
Polar Surface Area: 108 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 424.6±7.0 cm3

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