Found 1 result

Search term: NMLXMNVJOHDFQA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methyl-1-(2-{4-[(4-methyl-1H-pyrazol-3-yl)methyl]-1-piperazinyl}-1,3-thiazol-4-yl)-2,5,6,7-tetrahydro-4H-isoindol-4-one | C21H26N6OS

3-Methyl-1-(2-{4-[(4-methyl-1H-pyrazol-3-yl)methyl]-1-piperazinyl}-1,3-thiazol-4-yl)-2,5,6,7-tetrahydro-4H-isoindol-4-one

  • Molecular FormulaC21H26N6OS
  • Average mass410.536 Da
  • Monoisotopic mass410.188873 Da
  • ChemSpider ID129215373

More details:

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

3-Methyl-1-(2-{4-[(4-methyl-1H-pyrazol-3-yl)methyl]-1-piperazinyl}-1,3-thiazol-4-yl)-2,5,6,7-tetrahydro-4H-isoindol-4-on [German] [ACD/IUPAC Name]
3-Methyl-1-(2-{4-[(4-methyl-1H-pyrazol-3-yl)methyl]-1-piperazinyl}-1,3-thiazol-4-yl)-2,5,6,7-tetrahydro-4H-isoindol-4-one [ACD/IUPAC Name]
3-Méthyl-1-(2-{4-[(4-méthyl-1H-pyrazol-3-yl)méthyl]-1-pipérazinyl}-1,3-thiazol-4-yl)-2,5,6,7-tétrahydro-4H-isoindol-4-one [French] [ACD/IUPAC Name]
4H-Isoindol-4-one, 2,5,6,7-tetrahydro-3-methyl-1-[2-[4-[(4-methyl-1H-pyrazol-3-yl)methyl]-1-piperazinyl]-4-thiazolyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 100.74
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.21
ACD/KOC (pH 7.4): 557.03
Polar Surface Area: 109 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement