ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-1-(4-methylphenyl)-2-oxoethyl}acetamide | C29H31N5O4

N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-1-(4-methylphenyl)-2-oxoethyl}acetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2446443

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-yl-N-[2-[(3-methylbutyl)amino]-1-(4-methylphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-1-(4-methylphenyl)-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-methylbutyl)amino]-1-(4-methylphenyl)-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(3-méthylbutyl)amino]-1-(4-méthylphényl)-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05212128 [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: 762.5±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: 414.9±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 773.25
ACD/KOC (pH 5.5): 4064.97
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 773.29
ACD/KOC (pH 7.4): 4065.14
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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