ChemSpider 2D Image | N-[2-(Adamantan-1-ylsulfanyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide | C27H37N5O2S

N-[2-(Adamantan-1-ylsulfanyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID21924368

More details:

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

N-[2-(Adamantan-1-ylsulfanyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamid [German] [ACD/IUPAC Name]
N-[2-(Adamantan-1-ylsulfanyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide [ACD/IUPAC Name]
N-[2-(Adamantan-1-ylsulfanyl)éthyl]-4-[2-(1-méthyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-4(5H)-butanamide, 6,7-dihydro-2-(1-methyl-1H-pyrrol-2-yl)-γ-oxo-N-[2-(tricyclo[3.3.1.13,7]dec-1-ylthio)ethyl]- [ACD/Index 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: 802.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 510.91
ACD/KOC (pH 5.5): 3016.38
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 513.99
ACD/KOC (pH 7.4): 3034.55
Polar Surface Area: 97 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 351.0±7.0 cm3

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