ChemSpider 2D Image | 2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)-N-(4-morpholinophenyl)propanamide | C27H32N6O3S

2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)-N-(4-morpholinophenyl)propanamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID4271639

More details:

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

2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(pyridin-3-ylmethyl)acetamido)-N-(4-morpholinophenyl)propanamide
N2-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-N-[4-(4-morpholinyl)phenyl]-N2-(3-pyridinylmethyl)alaninamid [German] [ACD/IUPAC Name]
N2-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-N-[4-(4-morpholinyl)phenyl]-N2-(3-pyridinylmethyl)alaninamide [ACD/IUPAC Name]
N2-{2-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]acétyl}-N-[4-(4-morpholinyl)phényl]-N2-(3-pyridinylméthyl)alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl](3-pyridinylmethyl)amino]-N-[4-(4-morpholinyl)phenyl]- [ACD/Index Name]
N2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-[4-(morpholin-4-yl)phenyl]-N2-(pyridin-3-ylmethyl)alaninamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.1±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 14.88
ACD/KOC (pH 5.5): 176.76
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.85
ACD/KOC (pH 7.4): 509.24
Polar Surface Area: 126 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site


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