ChemSpider 2D Image | 2-(4-{4-[({4-[(Z)-1,3-Benzothiazol-2(3H)-ylidene(cyano)methyl]-2-pyrimidinyl}oxy)methyl]benzyl}-1-piperazinyl)acetamide | C27H27N7O2S

2-(4-{4-[({4-[(Z)-1,3-Benzothiazol-2(3H)-ylidene(cyano)methyl]-2-pyrimidinyl}oxy)methyl]benzyl}-1-piperazinyl)acetamide

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID8589528

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazineacetamide, 4-[[4-[[[4-[(Z)-2(3H)-benzothiazolylidenecyanomethyl]-2-pyrimidinyl]oxy]methyl]phenyl]methyl]- [ACD/Index Name]
2-(4-{4-[({4-[(Z)-1,3-Benzothiazol-2(3H)-yliden(cyan)methyl]-2-pyrimidinyl}oxy)methyl]benzyl}-1-piperazinyl)acetamid [German] [ACD/IUPAC Name]
2-(4-{4-[({4-[(Z)-1,3-Benzothiazol-2(3H)-ylidene(cyano)methyl]-2-pyrimidinyl}oxy)methyl]benzyl}-1-piperazinyl)acetamide [ACD/IUPAC Name]
2-(4-{4-[({4-[(Z)-1,3-Benzothiazol-2(3H)-ylidène(cyano)méthyl]-2-pyrimidinyl}oxy)méthyl]benzyl}-1-pipérazinyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.66
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 24.69
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.31
ACD/KOC (pH 7.4): 204.13
Polar Surface Area: 146 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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