ChemSpider 2D Image | 4-{2-Amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one | C32H27N5O2S

4-{2-Amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC32H27N5O2S
  • Average mass545.654 Da
  • Monoisotopic mass545.188538 Da
  • ChemSpider ID35035349

More details:

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

3H-Pyrazol-3-one, 4-[2-amino-4-methyl-3-[2-(methylamino)-6-benzothiazolyl]benzoyl]-1,2-dihydro-1-methyl-2,5-diphenyl- [ACD/Index Name]
4-{2-Amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{2-Amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{2-Amino-4-méthyl-3-[2-(méthylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-méthyl-2,5-diphényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3Z4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.5±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1560.42
ACD/KOC (pH 5.5): 6678.00
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1594.15
ACD/KOC (pH 7.4): 6822.35
Polar Surface Area: 120 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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