ChemSpider 2D Image | 2-Butyl-5-imino-6-{[5-(4-nitrophenyl)-2-furyl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C20H17N5O4S

2-Butyl-5-imino-6-{[5-(4-nitrophenyl)-2-furyl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC20H17N5O4S
  • Average mass423.445 Da
  • Monoisotopic mass423.100128 Da
  • ChemSpider ID29847651

More details:

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

2-Butyl-5-imino-6-{[5-(4-nitrophenyl)-2-furyl]methylen}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
2-Butyl-5-imino-6-{[5-(4-nitrophenyl)-2-furyl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
2-Butyl-5-imino-6-{[5-(4-nitrophényl)-2-furyl]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-butyl-5,6-dihydro-5-imino-6-[[5-(4-nitrophenyl)-2-furanyl]methylene]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 576.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.3±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.92
ACD/KOC (pH 5.5): 2271.41
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.92
ACD/KOC (pH 7.4): 2271.41
Polar Surface Area: 153 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 280.0±7.0 cm3

Click to predict properties on the Chemicalize site


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