ChemSpider 2D Image | N-[1-(4-{[1-(5-{2-[(Dimethylamino)methyl]phenyl}-2-thienyl)ethyl]amino}-2-methylpyrido[3,4-d]pyrimidin-6-yl)-3-azetidinyl]-2-(4-morpholinyl)acetamide | C32H40N8O2S

N-[1-(4-{[1-(5-{2-[(Dimethylamino)methyl]phenyl}-2-thienyl)ethyl]amino}-2-methylpyrido[3,4-d]pyrimidin-6-yl)-3-azetidinyl]-2-(4-morpholinyl)acetamide

  • Molecular FormulaC32H40N8O2S
  • Average mass600.777 Da
  • Monoisotopic mass600.299500 Da
  • ChemSpider ID128722448

More details:

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

4-Morpholineacetamide, N-[1-[4-[[1-[5-[2-[(dimethylamino)methyl]phenyl]-2-thienyl]ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]-3-azetidinyl]- [ACD/Index Name]
N-[1-(4-{[1-(5-{2-[(Dimethylamino)methyl]phenyl}-2-thienyl)ethyl]amino}-2-methylpyrido[3,4-d]pyrimidin-6-yl)-3-azetidinyl]-2-(4-morpholinyl)acetamid [German] [ACD/IUPAC Name]
N-[1-(4-{[1-(5-{2-[(Dimethylamino)methyl]phenyl}-2-thienyl)ethyl]amino}-2-methylpyrido[3,4-d]pyrimidin-6-yl)-3-azetidinyl]-2-(4-morpholinyl)acetamide [ACD/IUPAC Name]
N-[1-(4-{[1-(5-{2-[(Diméthylamino)méthyl]phényl}-2-thiényl)éthyl]amino}-2-méthylpyrido[3,4-d]pyrimidin-6-yl)-3-azétidinyl]-2-(4-morpholinyl)acétamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534715/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.8±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 27.16
ACD/KOC (pH 7.4): 155.11
Polar Surface Area: 127 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 452.9±5.0 cm3

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