ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamide | C29H37N5O5

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamide

  • Molecular FormulaC29H37N5O5
  • Average mass535.635 Da
  • Monoisotopic mass535.279480 Da
  • ChemSpider ID2432931

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(tetrahydro-2-furanylmethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-diméthoxyphényl)-2-oxoéthyl]-N-(tétrahydro-2-furanylméthyl)acétamide [French] [ACD/IUPAC Name]
ZINC00906157

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

ASN 04059812 [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: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.68
ACD/KOC (pH 5.5): 1043.48
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.69
ACD/KOC (pH 7.4): 1043.53
Polar Surface Area: 108 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 404.1±7.0 cm3

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