ChemSpider 2D Image | 4-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine | C26H29N5OS2

4-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

  • Molecular FormulaC26H29N5OS2
  • Average mass491.671 Da
  • Monoisotopic mass491.181366 Da
  • ChemSpider ID22459722

More details:

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

[1]Benzothieno[2,3-d]pyrimidine, 4-[2-(2-benzothiazolyl)-1-pyrrolidinyl]-5,6,7,8-tetrahydro-2-(4-morpholinylmethyl)- [ACD/Index Name]
4-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-morpholinylméthyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine [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: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.7±31.5 °C
Index of Refraction: 1.714
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 129.49
ACD/KOC (pH 5.5): 475.17
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2156.18
ACD/KOC (pH 7.4): 7911.85
Polar Surface Area: 111 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 359.3±3.0 cm3

Click to predict properties on the Chemicalize site


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