ChemSpider 2D Image | N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-isopropylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide | C33H37N5O5

N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-isopropylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID2447186

More details:






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

1H-1,2,3-Benzotriazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-[(1,1-dimethylpropyl)amino]-1-[4-(1-methylethyl)phenyl]-2-oxoethyl]- [ACD/Index Name]
N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-isopropylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-isopropylphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(6-Acétyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-isopropylphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 05254448 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 816.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.5±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 163.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.11
ACD/KOC (pH 5.5): 2152.50
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.12
ACD/KOC (pH 7.4): 2152.58
Polar Surface Area: 116 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 460.9±7.0 cm3

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