ChemSpider 2D Image | (5Z,6E)-2-Butyl-6-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C26H27ClN4O4S

(5Z,6E)-2-Butyl-6-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC26H27ClN4O4S
  • Average mass527.035 Da
  • Monoisotopic mass526.144165 Da
  • ChemSpider ID17515065

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,6E)-2-Butyl-6-[3-chlor-5-ethoxy-4-(2-phenoxyethoxy)benzyliden]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(5Z,6E)-2-Butyl-6-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(5Z,6E)-2-Butyl-6-[3-chloro-5-éthoxy-4-(2-phénoxyéthoxy)benzylidène]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5,6-dihydro-5-imino-, (5Z,6E)- [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: 655.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7396.12
ACD/KOC (pH 5.5): 20465.59
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7396.12
ACD/KOC (pH 7.4): 20465.59
Polar Surface Area: 122 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 392.4±7.0 cm3

Click to predict properties on the Chemicalize site


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