ChemSpider 2D Image | N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxamide | C25H30N8OS

N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxamide

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID34953243

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxamide [ACD/IUPAC Name]
N-[(1S)-2-(Diméthylamino)-1-phényléthyl]-6,6-diméthyl-3-[(6-méthylthiéno[2,3-d]pyrimidin-4-yl)amino]-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxamide, N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2,6-dihydro-6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]- [ACD/Index Name]
US8530494, 104

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 378.9±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.22
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 87.99
ACD/KOC (pH 7.4): 552.87
Polar Surface Area: 130 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 370.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement