ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)acetamide | C31H35N5O3

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)acetamide

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2449016

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2,6-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3-méthoxyphényl)-2-oxoéthyl]-N-(2,6-diméthylphényl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05294002 [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: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2305.94
ACD/KOC (pH 5.5): 8886.13
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2306.11
ACD/KOC (pH 7.4): 8886.80
Polar Surface Area: 89 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 422.5±7.0 cm3

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