ChemSpider 2D Image | 3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine | C22H21ClN4O2S

3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

  • Molecular FormulaC22H21ClN4O2S
  • Average mass440.946 Da
  • Monoisotopic mass440.107361 Da
  • ChemSpider ID24628813

More details:

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

3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(2-Chlorophenyl)-6-[3-(cyclopentyloxy)-4-methoxyphenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [ACD/IUPAC Name]
3-(2-Chlorophényl)-6-[3-(cyclopentyloxy)-4-méthoxyphényl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-6-[3-(cyclopentyloxy)-4-methoxyphenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin [German] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(2-chlorophenyl)-6-[3-(cyclopentyloxy)-4-methoxyphenyl]- [ACD/Index Name]
triazolothiadiazine, 28

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

Density: 1.4±0.1 g/cm3
Boiling Point: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 934.75
ACD/KOC (pH 5.5): 4656.10
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 934.77
ACD/KOC (pH 7.4): 4656.18
Polar Surface Area: 87 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 304.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement