ChemSpider 2D Image | N-[(2S)-1-[(4-Cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-1-oxo-3-(3-pyridinyl)-2-propanyl]-5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide | C25H32N6O4S2

N-[(2S)-1-[(4-Cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-1-oxo-3-(3-pyridinyl)-2-propanyl]-5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide

  • Molecular FormulaC25H32N6O4S2
  • Average mass544.689 Da
  • Monoisotopic mass544.192627 Da
  • ChemSpider ID90655570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinepropanamide, N-(4-cyanotetrahydro-1,1-dioxido-2H-thiopyran-4-yl)-α-[[[5-[(4-methyl-1-piperazinyl)methyl]-2-thienyl]carbonyl]amino]-, (αS)- [ACD/Index Name]
N-[(2S)-1-[(4-Cyan-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-1-oxo-3-(3-pyridinyl)-2-propanyl]-5-[(4-methyl-1-piperazinyl)methyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-[(4-Cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-1-oxo-3-(3-pyridinyl)-2-propanyl]-5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-[(4-Cyano-1,1-dioxydotétrahydro-2H-thiopyrane-4-yl)amino]-1-oxo-3-(3-pyridinyl)-2-propanyl]-5-[(4-méthyl-1-pipérazinyl)méthyl]-2-thiophènecarboxamide [French] [ACD/IUPAC 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: 882.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 487.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.99
Polar Surface Area: 172 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 390.5±5.0 cm3

Click to predict properties on the Chemicalize site


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