ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(3-methoxyphenyl)acetamide | C28H31N5O4

2-(1H-Benzotriazol-1-yl)-N-{1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(3-methoxyphenyl)acetamide

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID2449974

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-[(1,1-dimethylpropyl)amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(3-methoxyphenyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(3-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-hydroxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(3-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-hydroxyphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}-N-(3-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05297506 [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: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.24
ACD/KOC (pH 5.5): 1838.56
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.85
ACD/KOC (pH 7.4): 1814.12
Polar Surface Area: 110 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 404.6±7.0 cm3

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