ChemSpider 2D Image | (7R)-8-Cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydro-6(5H)-pteridinone | C20H23N7OS

(7R)-8-Cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydro-6(5H)-pteridinone

  • Molecular FormulaC20H23N7OS
  • Average mass409.508 Da
  • Monoisotopic mass409.168488 Da
  • ChemSpider ID35033583

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-8-Cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydro-6(5H)-pteridinon [German] [ACD/IUPAC Name]
(7R)-8-Cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydro-6(5H)-pteridinone [ACD/IUPAC Name]
(7R)-8-Cyclopentyl-7-éthyl-5-méthyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydro-6(5H)-ptéridinone [French] [ACD/IUPAC Name]
(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-[2-(1,3-Thiazol-4-Yl)-1h-Imidazol-1-Yl]-7,8-Dihydropteridin-6(5h)-One
6(5H)-Pteridinone, 8-cyclopentyl-7-ethyl-7,8-dihydro-5-methyl-2-[2-(4-thiazolyl)-1H-imidazol-1-yl]-, (7R)- [ACD/Index Name]
1C8

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

Density: 1.5±0.1 g/cm3
Boiling Point: 735.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.7±35.7 °C
Index of Refraction: 1.778
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.78
ACD/KOC (pH 5.5): 726.58
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.81
ACD/KOC (pH 7.4): 726.91
Polar Surface Area: 108 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 273.1±7.0 cm3

Click to predict properties on the Chemicalize site


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