ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | C30H31N5O4

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID2432812

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-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-phényléthyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04059473 [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: 799.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 147.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.66
ACD/KOC (pH 5.5): 2691.45
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 434.68
ACD/KOC (pH 7.4): 2691.57
Polar Surface Area: 99 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 386.9±7.0 cm3

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