ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-(cyclohexylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}acetamide | C34H38N6O5

N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-(cyclohexylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}acetamide

  • Molecular FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID2432826

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-(cyclohexylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-(cyclohexylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{2-(cyclohexylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(1H-benzotriazol-1-yl)-N-{2-(cyclohexylamino)-1-[4-(4-morpholinyl)phényl]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 04059506 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 885.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.2±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 168.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 308.52
ACD/KOC (pH 5.5): 2062.43
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 331.70
ACD/KOC (pH 7.4): 2217.37
Polar Surface Area: 111 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 439.7±7.0 cm3

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