ChemSpider 2D Image | 3,4-Dimethyl-5-(2-{(Z)-[4-(1-piperazinyl)-2,4-cyclohexadien-1-ylidene]amino}-4-pyrimidinyl)-1,3-thiazol-2(3H)-one | C19H22N6OS

3,4-Dimethyl-5-(2-{(Z)-[4-(1-piperazinyl)-2,4-cyclohexadien-1-ylidene]amino}-4-pyrimidinyl)-1,3-thiazol-2(3H)-one

  • Molecular FormulaC19H22N6OS
  • Average mass382.483 Da
  • Monoisotopic mass382.158000 Da
  • ChemSpider ID25058921

  • Double-bond stereo - Double-bond stereo

More details:

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

2(3H)-Thiazolone, 3,4-dimethyl-5-[2-[[(1Z)-4-(1-piperazinyl)-2,4-cyclohexadien-1-ylidene]amino]-4-pyrimidinyl]- [ACD/Index Name]
3,4-Dimethyl-5-(2-{(Z)-[4-(1-piperazinyl)-2,4-cyclohexadien-1-yliden]amino}-4-pyrimidinyl)-1,3-thiazol-2(3H)-on [German] [ACD/IUPAC Name]
3,4-Dimethyl-5-(2-{(Z)-[4-(1-piperazinyl)-2,4-cyclohexadien-1-ylidene]amino}-4-pyrimidinyl)-1,3-thiazol-2(3H)-one [ACD/IUPAC Name]
3,4-Diméthyl-5-(2-{(Z)-[4-(1-pipérazinyl)-2,4-cyclohexadién-1-ylidène]amino}-4-pyrimidinyl)-1,3-thiazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 618.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 91.7±0.0 kJ/mol
Flash Point: 327.8±0.0 °C
Index of Refraction: 1.718
Molar Refractivity: 108.3±0.0 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 99 Å2
Polarizability: 42.9±0.0 10-24cm3
Surface Tension: 57.4±0.0 dyne/cm
Molar Volume: 274.8±0.0 cm3

Click to predict properties on the Chemicalize site


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