Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | 2-Methoxy-4-[7-(2-methyl-2-butanyl)-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl 2-thiophenecarboxylate | C27H30N2O4S2

2-Methoxy-4-[7-(2-methyl-2-butanyl)-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl 2-thiophenecarboxylate

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID2619468

More details:

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

2-Methoxy-4-[7-(2-methyl-2-butanyl)-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl 2-thiophenecarboxylate [ACD/IUPAC Name]
2-Methoxy-4-[7-(2-methyl-2-butanyl)-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophènecarboxylate de 2-méthoxy-4-[7-(2-méthyl-2-butanyl)-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]phényle [French] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 4-[7-(1,1-dimethylpropyl)-1,2,3,4,5,6,7,8-octahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl ester [ACD/Index Name]
2-thiophenecarboxylic acid, 4-[7-(1,1-dimethylpropyl)-1,2,5,6,7,8-hexahydro-4-hydroxy[1]benzothieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl ester
4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl thiophene-2-carboxylate
Thiophene-2-carboxylic acid 4-[7-(1,1-dimethyl-propyl)-4-hydroxy-1,2,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]-2-methoxy-phenyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17979.35
ACD/KOC (pH 5.5): 38650.39
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17979.35
ACD/KOC (pH 7.4): 38650.39
Polar Surface Area: 133 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 405.0±3.0 cm3

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