ChemSpider 2D Image | 1-{2,5-Dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)oxy]ethanone | C29H32N4O5S2

1-{2,5-Dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)oxy]ethanone

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID3567302

More details:

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

1-{2,5-Dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)oxy]ethanon [German] [ACD/IUPAC Name]
1-{2,5-Dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-1H-pyrrol-3-yl}-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)oxy]ethanone [ACD/IUPAC Name]
1-{2,5-Diméthyl-1-[3-(4-morpholinylsulfonyl)phényl]-1H-pyrrol-3-yl}-2-[(7-méthyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-yl)oxy]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-1H-pyrrol-3-yl]-2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)oxy]- [ACD/Index 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: 805.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 441.0±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4682.54
ACD/KOC (pH 5.5): 14751.66
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4685.67
ACD/KOC (pH 7.4): 14761.49
Polar Surface Area: 140 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

Click to predict properties on the Chemicalize site


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