Found 74 results

Search term: MF = 'C_{30}H_{28}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | MFCD03417921 | C30H28N2O4S2

MFCD03417921

  • Molecular FormulaC30H28N2O4S2
  • Average mass544.684 Da
  • Monoisotopic mass544.149048 Da
  • ChemSpider ID4775204

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(4-Butoxybenzylidène)-7-méthyl-3-oxo-5-(2-thiényl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(4-butoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-thienyl)-, phenylmethyl ester, (2E)- [ACD/Index Name]
Benzyl (2E)-2-(4-butoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Benzyl-(2E)-2-(4-butoxybenzyliden)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD03417921

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

Density: 1.3±0.1 g/cm3
Boiling Point: 686.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21205.87
ACD/KOC (pH 5.5): 43497.42
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21205.87
ACD/KOC (pH 7.4): 43497.42
Polar Surface Area: 122 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 422.6±7.0 cm3

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