Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | 3-(3-Biphenylylmethyl)-7-[(2-cyclohexylethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C31H35N3OS

3-(3-Biphenylylmethyl)-7-[(2-cyclohexylethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID76743582

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-([1,1'-biphenyl]-3-ylmethyl)-7-[(2-cyclohexylethyl)amino]-5,6,7,8-tetrahydro- [ACD/Index Name]
3-(3-Biphenylylmethyl)-7-[(2-cyclohexylethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(3-Biphenylylmethyl)-7-[(2-cyclohexylethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(3-Biphénylylméthyl)-7-[(2-cyclohexyléthyl)amino]-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: 1.3±0.1 g/cm3
Boiling Point: 705.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 51.22
ACD/KOC (pH 5.5): 78.33
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 354.18
ACD/KOC (pH 7.4): 541.61
Polar Surface Area: 73 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 391.9±7.0 cm3

Click to predict properties on the Chemicalize site


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