ChemSpider 2D Image | N-(2,5-Dimethoxyphenyl)-6-(2-methyl-2-propanyl)-2-[(1-piperidinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C28H39N3O4S

N-(2,5-Dimethoxyphenyl)-6-(2-methyl-2-propanyl)-2-[(1-piperidinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID2967805

More details:

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

1-Piperidineacetamide, N-[3-[[(2,5-dimethoxyphenyl)amino]carbonyl]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]- [ACD/Index Name]
N-(2,5-Dimethoxyphenyl)-6-(2-methyl-2-propanyl)-2-[(1-piperidinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
N-(2,5-Dimethoxyphenyl)-6-(2-methyl-2-propanyl)-2-[(1-piperidinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-(2,5-Diméthoxyphényl)-6-(2-méthyl-2-propanyl)-2-{[2-(1-pipéridinyl)acétyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
6-tert-Butyl-2-(2-piperidin-1-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (2,5-dimethoxy-phenyl)-amide
6-tert-butyl-N-(2,5-dimethoxyphenyl)-2-[(piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-tert-butyl-N-(2,5-dimethoxyphenyl)-2-[2-(piperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 1030.11
ACD/KOC (pH 5.5): 1869.92
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 23361.24
ACD/KOC (pH 7.4): 42406.86
Polar Surface Area: 108 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 425.5±3.0 cm3

Click to predict properties on the Chemicalize site


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