ChemSpider 2D Image | N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methyl-1-piperazinyl)benzamide | C26H30N6O3

N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methyl-1-piperazinyl)benzamide

  • Molecular FormulaC26H30N6O3
  • Average mass474.555 Da
  • Monoisotopic mass474.237946 Da
  • ChemSpider ID10620357

More details:

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

Benzamide, 4-(4-methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]- [ACD/Index Name]
N-[5-(2-Méthoxy-2-phénylacétyl)-1,4,5,6-tétrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-méthyl-1-pipérazinyl)benzamide [French] [ACD/IUPAC Name]
N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methyl-1-piperazinyl)benzamid [German] [ACD/IUPAC Name]
N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methyl-1-piperazinyl)benzamide [ACD/IUPAC Name]
1044136-93-7 [RN]
4-(4-methyl-1-piperazinyl)-n-(1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)benzamide
5-Amido-pyrrolopyrazole 9d
827318-97-8 [RN]
Danusertib (PHA-739358)
Kinome_3738
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 664.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.18
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 26.54
ACD/KOC (pH 7.4): 301.47
Polar Surface Area: 94 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 358.9±3.0 cm3

Click to predict properties on the Chemicalize site


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