ChemSpider 2D Image | Ethyl (2Z)-5-(4-isopropylphenyl)-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C40H35N3O3S

Ethyl (2Z)-5-(4-isopropylphenyl)-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC40H35N3O3S
  • Average mass637.789 Da
  • Monoisotopic mass637.239929 Da
  • ChemSpider ID79531191

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-(4-Isopropylphényl)-2-[(7-méthyl-2-phényl-1H-indol-3-yl)méthylène]-3-oxo-7-phényl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-5-[4-(1-methylethyl)phenyl]-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylene]-3-oxo-7-phenyl-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-(4-isopropylphenyl)-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-5-(4-isopropylphenyl)-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylen]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC 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: 813.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.6±37.1 °C
Index of Refraction: 1.668
Molar Refractivity: 189.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.53
ACD/LogD (pH 5.5): 8.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1428772.25
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1428772.25
Polar Surface Area: 100 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 507.8±7.0 cm3

Click to predict properties on the Chemicalize site


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