ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-quinolinyl)acetamide | C31H30N6O2

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-quinolinyl)acetamide

  • Molecular FormulaC31H30N6O2
  • Average mass518.609 Da
  • Monoisotopic mass518.243042 Da
  • ChemSpider ID2432814

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-3-quinolinyl- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-(3-chinolinyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phényléthyl]-N-(3-quinoléinyl)acétamide [French] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-quinolinyl)acetamide [ACD/IUPAC Name]

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

ASN 04059475 [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: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.8±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1041.96
ACD/KOC (pH 5.5): 5015.60
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1054.16
ACD/KOC (pH 7.4): 5074.33
Polar Surface Area: 93 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 394.8±7.0 cm3

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