ChemSpider 2D Image | (6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H29ClN4O5S

(6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID21259982

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{4-[2-(2-Chlorophénoxy)éthoxy]-3,5-diméthoxybenzylidène}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
(6E)-6-{4-[2-(2-Chlorphenoxy)ethoxy]-3,5-dimethoxybenzyliden}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-pentyl-, (6E)- [ACD/Index Name]
6-{4-[2-(2-Chloro-phenoxy)-ethoxy]-3,5-dimethoxy-benzylidene}-5-imino-2-pentyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.2±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4919.73
ACD/KOC (pH 5.5): 15285.68
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4919.73
ACD/KOC (pH 7.4): 15285.68
Polar Surface Area: 131 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 414.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement