ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide | C30H31N5O6

N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID2429512

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(1H-benzotriazol-1-yl)-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 03798699 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 876.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 484.0±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.35
ACD/KOC (pH 5.5): 567.09
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 47.95
ACD/KOC (pH 7.4): 550.92
Polar Surface Area: 139 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 381.4±7.0 cm3

Click to predict properties on the Chemicalize site


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