ChemSpider 2D Image | 4-[(1-Methyl-4-piperidinyl)sulfanyl]-5-(5,6,7,8-tetrahydro-2-naphthalenyl)thieno[2,3-d]pyrimidine | C22H25N3S2

4-[(1-Methyl-4-piperidinyl)sulfanyl]-5-(5,6,7,8-tetrahydro-2-naphthalenyl)thieno[2,3-d]pyrimidine

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID30898603

More details:

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

4-[(1-Méthyl-4-pipéridinyl)sulfanyl]-5-(5,6,7,8-tétrahydro-2-naphtalényl)thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
4-[(1-Methyl-4-piperidinyl)sulfanyl]-5-(5,6,7,8-tetrahydro-2-naphthalenyl)thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-[(1-Methyl-4-piperidinyl)sulfanyl]-5-(5,6,7,8-tetrahydro-2-naphthalinyl)thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 4-[(1-methyl-4-piperidinyl)thio]-5-(5,6,7,8-tetrahydro-2-naphthalenyl)- [ACD/Index 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: 583.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction: 1.693
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 35.43
ACD/KOC (pH 5.5): 102.02
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1762.82
ACD/KOC (pH 7.4): 5076.24
Polar Surface Area: 83 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

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