ChemSpider 2D Image | 2-[4-(3-Chlorophenyl)-1,3-bis(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide | C25H33ClN4O2S

2-[4-(3-Chlorophenyl)-1,3-bis(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID29263603

More details:

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

2-[4-(3-Chlorophenyl)-1,3-bis(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide [ACD/IUPAC Name]
2-[4-(3-Chlorophényl)-1,3-bis(2-méthyl-2-propanyl)-7-oxo-1,4,6,7-tétrahydro-8H-pyrazolo[3,4-e][1,4]thiazépin-8-yl]-N-cyclopropylacétamide [French] [ACD/IUPAC Name]
2-[4-(3-Chlorphenyl)-1,3-bis(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamid [German] [ACD/IUPAC Name]
8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, 4-(3-chlorophenyl)-N-cyclopropyl-1,3-bis(1,1-dimethylethyl)-1,4,6,7-tetrahydro-7-oxo- [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: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2462.29
ACD/KOC (pH 5.5): 9308.84
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2466.65
ACD/KOC (pH 7.4): 9325.32
Polar Surface Area: 93 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 375.5±7.0 cm3

Click to predict properties on the Chemicalize site


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