Found 219 results

Search term: MF = 'C_{30}H_{38}N_{4}O_{2}S'
ChemSpider 2D Image | 1-[4-(2-Cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanone | C30H38N4O2S

1-[4-(2-Cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanone

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID22596498

More details:

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

1-[4-(2-Cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanon [German] [ACD/IUPAC Name]
1-[4-(2-Cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanone [ACD/IUPAC Name]
1-[4-(2-Cyclohexyl-6,7,8,9-tétrahydro-5H-cyclohepta[4,5]thiéno[2,3-d]pyrimidin-4-yl)-1-pipérazinyl]-2-(4-méthoxyphényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-2-(4-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 3286.49
ACD/KOC (pH 5.5): 7249.95
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15621.00
ACD/KOC (pH 7.4): 34459.74
Polar Surface Area: 87 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

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