ChemSpider 2D Image | LP-403812 | C26H34N6O2S

LP-403812

  • Molecular FormulaC26H34N6O2S
  • Average mass494.652 Da
  • Monoisotopic mass494.246399 Da
  • ChemSpider ID34980890

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1142050-84-7 [RN]
4-Methyl-N-[1-(2-methyl-2-propanyl)-3-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzenecarboximidic acid [ACD/IUPAC Name]
4-Methyl-N-[1-(2-methyl-2-propanyl)-3-{[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzolcarboximidsäure [German] [ACD/IUPAC Name]
Acide 4-méthyl-N-[1-(2-méthyl-2-propanyl)-3-{[(2S)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]carbonyl}-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzènecarboximidique [French] [ACD/IUPAC Name]
Benzamide, N-[1-(1,1-dimethylethyl)-3-[[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrazolo[3,4-d]thiazol-5-yl]-4-methyl-
Benzenecarboximidic acid, N-[1-(1,1-dimethylethyl)-3-[[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrazolo[3,4-d]thiazol-5-yl]-4-methyl- [ACD/Index Name]
LP-403812
LP 403812
LP 403812|LP403812
LP403812
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.2±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.10
Polar Surface Area: 115 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 365.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement