ChemSpider 2D Image | 2-({3-[2-(1H-Indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-isopropylphenyl)acetamide | C31H28N4O2S2

2-({3-[2-(1H-Indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-isopropylphenyl)acetamide

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID2801323

More details:

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

2-({3-[2-(1H-Indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-isopropylphenyl)acetamid [German] [ACD/IUPAC Name]
2-({3-[2-(1H-Indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-isopropylphenyl)acetamide [ACD/IUPAC Name]
2-({3-[2-(1H-Indol-3-yl)éthyl]-4-oxo-3,4-dihydro[1]benzothiéno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-isopropylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3,4-dihydro-3-[2-(1H-indol-3-yl)ethyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}thio)-N-(4-isopropylphenyl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 160.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55204.91
ACD/KOC (pH 5.5): 86275.28
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55206.12
ACD/KOC (pH 7.4): 86277.17
Polar Surface Area: 131 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 406.5±7.0 cm3

Click to predict properties on the Chemicalize site


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