Found 4 results

Search term: MF = 'C_{36}H_{28}N_{4}O_{4}S_{3}'
ChemSpider 2D Image | 5-(4-Ethoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one | C36H28N4O4S3

5-(4-Ethoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC36H28N4O4S3
  • Average mass676.827 Da
  • Monoisotopic mass676.127258 Da
  • ChemSpider ID21596708

More details:

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

2H-Pyrrol-2-one, 5-(4-ethoxyphenyl)-1,5-dihydro-3-hydroxy-4-[(4-methyl-2-phenyl-5-thiazolyl)carbonyl]-1-[5-[(1-naphthalenylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
5-(4-Ethoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Ethoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Éthoxyphényl)-3-hydroxy-4-[(4-méthyl-2-phényl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(1-naphtylméthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-Ethoxy-phenyl)-3-hydroxy-4-(4-methyl-2-phenyl-thiazole-5-carbonyl)-1-[5-(naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-1,5-dihydro-pyrrol-2-one
5-(4-ethoxyphenyl)-3-hydroxy-4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 867.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.6±37.1 °C
Index of Refraction: 1.761
Molar Refractivity: 187.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 4599.27
ACD/KOC (pH 5.5): 7374.86
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 79.34
ACD/KOC (pH 7.4): 127.23
Polar Surface Area: 187 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 454.8±5.0 cm3

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