ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide | C29H31N5O4

2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2429511

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-dihydroxyphenyl)-2-oxoethyl]-N-(phenylmethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

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

ASN 03798695 [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: 836.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 459.9±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.86
ACD/KOC (pH 5.5): 1521.01
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 190.51
ACD/KOC (pH 7.4): 1479.48
Polar Surface Area: 121 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 381.0±7.0 cm3

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