ChemSpider 2D Image | (4S)-4-({[5-Amino-6-oxo-2-(2-thienyl)-1(6H)-pyrimidinyl]acetyl}amino)-2,2-difluoro-5-methyl-N-[2-(4-morpholinyl)ethyl]-3-oxohexanamide | C23H30F2N6O5S

(4S)-4-({[5-Amino-6-oxo-2-(2-thienyl)-1(6H)-pyrimidinyl]acetyl}amino)-2,2-difluoro-5-methyl-N-[2-(4-morpholinyl)ethyl]-3-oxohexanamide

  • Molecular FormulaC23H30F2N6O5S
  • Average mass540.583 Da
  • Monoisotopic mass540.196655 Da
  • ChemSpider ID4450056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-({[5-Amino-6-oxo-2-(2-thienyl)-1(6H)-pyrimidinyl]acetyl}amino)-2,2-difluor-5-methyl-N-[2-(4-morpholinyl)ethyl]-3-oxohexanamid [German] [ACD/IUPAC Name]
(4S)-4-({[5-Amino-6-oxo-2-(2-thienyl)-1(6H)-pyrimidinyl]acetyl}amino)-2,2-difluoro-5-methyl-N-[2-(4-morpholinyl)ethyl]-3-oxohexanamide [ACD/IUPAC Name]
(4S)-4-({2-[5-Amino-6-oxo-2-(2-thiényl)-1(6H)-pyrimidinyl]acétyl}amino)-2,2-difluoro-5-méthyl-N-[2-(4-morpholinyl)éthyl]-3-oxohexanamide [French] [ACD/IUPAC Name]
1(6H)-Pyrimidineacetamide, 5-amino-N-[(1S)-3,3-difluoro-1-(1-methylethyl)-4-[[2-(4-morpholinyl)ethyl]amino]-2,4-dioxobutyl]-6-oxo-2-(2-thienyl)- [ACD/Index Name]
2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide
BDK [Trade 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: 1.637
Molar Refractivity: 132.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.26
Polar Surface Area: 175 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 368.8±7.0 cm3

Click to predict properties on the Chemicalize site


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