Found 219 results

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

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

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID22596197

More details:

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

2-(Benzyloxy)-1-[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(Benzyloxy)-1-[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(Benzyloxy)-1-[4-(2-cyclohexyl-6,7,8,9-tétrahydro-5H-cyclohepta[4,5]thiéno[2,3-d]pyrimidin-4-yl)-1-pipérazinyl]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-(phenylmethoxy)- [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: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 4818.15
ACD/KOC (pH 5.5): 9392.63
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24055.09
ACD/KOC (pH 7.4): 46893.64
Polar Surface Area: 87 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

Click to predict properties on the Chemicalize site


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