ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}acetamide | C29H31N5O4

N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}acetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2446521

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-méthylbutyl)amino]-2-oxo-1-phényléthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05212216 [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: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.30
ACD/KOC (pH 5.5): 2329.78
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.32
ACD/KOC (pH 7.4): 2329.90
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 397.7±7.0 cm3

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