ChemSpider 2D Image | 7-Benzyl-3-(4-chlorophenyl)-2-(isobutylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C26H27ClN4OS

7-Benzyl-3-(4-chlorophenyl)-2-(isobutylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC26H27ClN4OS
  • Average mass479.037 Da
  • Monoisotopic mass478.159424 Da
  • ChemSpider ID30657532

More details:

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

7-Benzyl-3-(4-chlorophenyl)-2-(isobutylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
7-Benzyl-3-(4-chlorophényl)-2-(isobutylamino)-5,6,7,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
7-Benzyl-3-(4-chlorphenyl)-2-(isobutylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methylpropyl)amino]-7-(phenylmethyl)- [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: 643.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.9±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 460.57
ACD/KOC (pH 5.5): 1539.87
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3481.18
ACD/KOC (pH 7.4): 11639.09
Polar Surface Area: 76 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 358.5±7.0 cm3

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