ChemSpider 2D Image | 7-Acetyl-3-amino-2-{4-[4-(2-quinolinyl)-1-piperazinyl]butyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one | C28H33N7O2S

7-Acetyl-3-amino-2-{4-[4-(2-quinolinyl)-1-piperazinyl]butyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID26355084

More details:

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

7-Acetyl-3-amino-2-{4-[4-(2-chinolinyl)-1-piperazinyl]butyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
7-Acétyl-3-amino-2-{4-[4-(2-quinoléinyl)-1-pipérazinyl]butyl}-5,6,7,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
7-Acetyl-3-amino-2-{4-[4-(2-quinolinyl)-1-piperazinyl]butyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-acetyl-3-amino-5,6,7,8-tetrahydro-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.744
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 9.80
ACD/KOC (pH 7.4): 125.37
Polar Surface Area: 127 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 369.1±7.0 cm3

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