Found 178 results

Search term: MF = 'C_{26}H_{32}N_{4}O_{2}S_{2}'
ChemSpider 2D Image | 2-{[1-(2,3-Dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-3-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C26H32N4O2S2

2-{[1-(2,3-Dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-3-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC26H32N4O2S2
  • Average mass496.688 Da
  • Monoisotopic mass496.196655 Da
  • ChemSpider ID21999934

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]thio]-3-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
2-{[1-(2,3-Dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-3-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-{[1-(2,3-Dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-3-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-{[1-(2,3-Dihydro-1H-indol-1-yl)-1-oxo-2-propanyl]sulfanyl}-3-[3-(diméthylamino)propyl]-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 5.38
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 13.20
ACD/KOC (pH 7.4): 59.92
Polar Surface Area: 110 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 366.2±7.0 cm3

Click to predict properties on the Chemicalize site


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