Found 47 results

Search term: MF = 'C_{31}H_{28}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | 3-(5-{[6-(Isopropoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-2-methylbenzoic acid | C31H28N2O6S2

3-(5-{[6-(Isopropoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-2-methylbenzoic acid

  • Molecular FormulaC31H28N2O6S2
  • Average mass588.694 Da
  • Monoisotopic mass588.138855 Da
  • ChemSpider ID4309375

More details:

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

3-(5-{[6-(Isopropoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}-2-furyl)-2-methylbenzoesäure [German] [ACD/IUPAC Name]
3-(5-{[6-(Isopropoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-2-methylbenzoic acid [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[5-(3-carboxy-2-methylphenyl)-2-furanyl]methylene]-2,3-dihydro-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-, 6-(1-methylethyl) ester [ACD/Index Name]
Acide 3-(5-{[6-(isopropoxycarbonyl)-7-méthyl-5-[4-(méthylsulfanyl)phényl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}-2-furyl)-2-méthylbenzoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.3±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 765.69
ACD/KOC (pH 5.5): 1317.48
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 37.32
ACD/KOC (pH 7.4): 64.22
Polar Surface Area: 160 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 430.4±7.0 cm3

Click to predict properties on the Chemicalize site


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