Found 225 results

Search term: MF = 'C_{18}H_{27}N_{7}OS'
ChemSpider 2D Image | N-Allyl-4-(1,3-dimethyl-7-oxo-6-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-1-piperazinecarbothioamide | C18H27N7OS

N-Allyl-4-(1,3-dimethyl-7-oxo-6-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-1-piperazinecarbothioamide

  • Molecular FormulaC18H27N7OS
  • Average mass389.518 Da
  • Monoisotopic mass389.199768 Da
  • ChemSpider ID21839859

More details:

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

1-Piperazinecarbothioamide, 4-(6,7-dihydro-1,3-dimethyl-7-oxo-6-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-2-propen-1-yl- [ACD/Index Name]
N-Allyl-4-(1,3-dimethyl-7-oxo-6-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-1-piperazincarbothioamid [German] [ACD/IUPAC Name]
N-Allyl-4-(1,3-dimethyl-7-oxo-6-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-1-piperazinecarbothioamide [ACD/IUPAC Name]
N-Allyl-4-(1,3-diméthyl-7-oxo-6-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-1-pipérazinecarbothioamide [French] [ACD/IUPAC Name]
4-{1,3-dimethyl-7-oxo-6-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.47
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 58.47
Polar Surface Area: 101 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

Click to predict properties on the Chemicalize site


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