ChemSpider 2D Image | N-[3-(2-Methoxyethyl)-4-oxo-3,4-dihydro-6-quinazolinyl]-5-[(4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C21H27N5O4S

N-[3-(2-Methoxyethyl)-4-oxo-3,4-dihydro-6-quinazolinyl]-5-[(4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID78502181

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[3,4-dihydro-3-(2-methoxyethyl)-4-oxo-6-quinazolinyl]hexahydro-2-oxo-, (4S,6aR)- [ACD/Index Name]
N-[3-(2-Methoxyethyl)-4-oxo-3,4-dihydro-6-chinazolinyl]-5-[(4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-[3-(2-Methoxyethyl)-4-oxo-3,4-dihydro-6-quinazolinyl]-5-[(4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-[3-(2-Méthoxyéthyl)-4-oxo-3,4-dihydro-6-quinazolinyl]-5-[(4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.08
ACD/KOC (pH 5.5): 126.69
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.08
ACD/KOC (pH 7.4): 126.70
Polar Surface Area: 137 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 297.9±7.0 cm3

Click to predict properties on the Chemicalize site


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