ChemSpider 2D Image | N-{2-[{2-[(2-Methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}(3-pyridinyl)amino]-2-oxoethyl}-2-thiophenecarboxamide | C27H32N4O6S

N-{2-[{2-[(2-Methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}(3-pyridinyl)amino]-2-oxoethyl}-2-thiophenecarboxamide

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID2467032

More details:

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

2-Thiophenecarboxamide, N-[2-[[2-[(1,1-dimethylethyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-pyridinylamino]-2-oxoethyl]- [ACD/Index Name]
N-{2-[{2-[(2-Methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}(3-pyridinyl)amino]-2-oxoethyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{2-[{2-[(2-Methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}(3-pyridinyl)amino]-2-oxoethyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{2-[{2-[(2-Méthyl-2-propanyl)amino]-2-oxo-1-(3,4,5-triméthoxyphényl)éthyl}(3-pyridinyl)amino]-2-oxoéthyl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

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

ASN 05990463 [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: 785.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.32
ACD/KOC (pH 5.5): 232.62
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.61
ACD/KOC (pH 7.4): 237.27
Polar Surface Area: 147 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 430.5±3.0 cm3

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