ChemSpider 2D Image | (5Z,6Z)-6-{3-Ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C27H30N4O5S

(5Z,6Z)-6-{3-Ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID4738003

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,6Z)-6-{3-Ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzyliden}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(5Z,6Z)-6-{3-Ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(5Z,6Z)-6-{3-Éthoxy-4-[2-(2-phénoxyéthoxy)éthoxy]benzylidène}-5-imino-2-propyl-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, 6-[[3-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-propyl-, (5Z,6Z)- [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: 658.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 639.82
ACD/KOC (pH 5.5): 3549.59
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 639.82
ACD/KOC (pH 7.4): 3549.59
Polar Surface Area: 131 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 405.6±7.0 cm3

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