ChemSpider 2D Image | (6Z)-2-Cyclohexyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C30H31N5O3S

(6Z)-2-Cyclohexyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID21863865

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-2-Cyclohexyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylen)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-2-Cyclohexyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-2-Cyclohexyl-5-imino-6-({1-[2-(2-méthoxyphénoxy)éthyl]-2-méthyl-1H-indol-3-yl}méthylène)-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-cyclohexyl-5,6-dihydro-5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl]methylene]-, (6Z)- [ACD/Index Name]
(6Z)-2-cyclohexyl-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-Cyclohexyl-5-imino-6-{1-[2-(2-methoxy-phenoxy)-ethyl]-2-methyl-1H-indol-3-ylmethylene}-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: 1.4±0.1 g/cm3
Boiling Point: 693.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4110.83
ACD/KOC (pH 5.5): 13441.41
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4110.83
ACD/KOC (pH 7.4): 13441.41
Polar Surface Area: 118 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 394.5±7.0 cm3

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