ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[2-(3-methylphenyl)ethyl]acetamide | C31H37N5O3

2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[2-(3-methylphenyl)ethyl]acetamide

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID2446597

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-[(1,1-dimethylethyl)amino]-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[2-(3-methylphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[2-(3-methylphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-éthoxyphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-N-[2-(3-méthylphényl)éthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 05212322 [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: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2835.48
ACD/KOC (pH 5.5): 10303.36
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2835.63
ACD/KOC (pH 7.4): 10303.90
Polar Surface Area: 89 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 454.6±7.0 cm3

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