ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxy-3-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide | C29H35N5O5

2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxy-3-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID2449622

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(4-ethoxy-3-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl]-N-(2-furanylmethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxy-3-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethoxy-3-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N-(2-furylmethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-éthoxy-3-méthoxyphényl)-2-[(3-méthylbutyl)amino]-2-oxoéthyl}-N-(2-furylméthyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05296575 [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: 756.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.1±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.94
ACD/KOC (pH 5.5): 3279.82
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.97
ACD/KOC (pH 7.4): 3279.98
Polar Surface Area: 112 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 430.9±7.0 cm3

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