ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide | C30H35N5O4S

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID2432835

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-(2-thienyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thiényl)éthyl]-N-[2-(3,4-diméthoxyphényl)éthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 04059522 [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: 807.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 999.71
ACD/KOC (pH 5.5): 4885.45
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 999.76
ACD/KOC (pH 7.4): 4885.70
Polar Surface Area: 127 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 428.2±7.0 cm3

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