ChemSpider 2D Image | 2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-N-[(4-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(2-thienylmethyl)acetamide | C27H29FN4O4S

2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-N-[(4-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(2-thienylmethyl)acetamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID30819485

More details:

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

1-Piperidineacetamide, 4-(4-fluorobenzoyl)-N-[(3,5,7,8-tetrahydro-4-oxo-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(2-thienylmethyl)- [ACD/Index Name]
2-[4-(4-Fluorbenzoyl)-1-piperidinyl]-N-[(4-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(2-thienylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-N-[(4-oxo-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(2-thienylmethyl)acetamide [ACD/IUPAC Name]
2-[4-(4-Fluorobenzoyl)-1-pipéridinyl]-N-[(4-oxo-1,5,7,8-tétrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)méthyl]-N-(2-thiénylméthyl)acétamide [French] [ACD/IUPAC Name]
2-[4-(4-Fluorobenzoyl)piperidin-1-Yl]-N-[(4-Oxo-3,5,7,8-Tetrahydro-4h-Pyrano[4,3-D]pyrimidin-2-Yl)methyl]-N-(Thiophen-2-Ylmethyl)acetamide
1XQ

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 5.38
ACD/KOC (pH 5.5): 71.69
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.47
ACD/KOC (pH 7.4): 366.17
Polar Surface Area: 120 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 370.8±7.0 cm3

Click to predict properties on the Chemicalize site


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