Found 74 results

Search term: MF = 'C_{30}H_{28}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | MFCD03417805 | C30H28N2O4S2

MFCD03417805

  • Molecular FormulaC30H28N2O4S2
  • Average mass544.684 Da
  • Monoisotopic mass544.149048 Da
  • ChemSpider ID12233977

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Benzyloxy)benzylidène]-7-méthyl-3-oxo-5-(2-thiényl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-7-methyl-3-oxo-2-[[4-(phenylmethoxy)phenyl]methylene]-5-(2-thienyl)-, 2-methylpropyl ester, (2E)- [ACD/Index Name]
Isobutyl (2E)-2-[4-(benzyloxy)benzylidene]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isobutyl-(2E)-2-[4-(benzyloxy)benzyliden]-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD03417805
(E)-isobutyl 2-(4-(benzyloxy)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-2-[4-(benzyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-2-{[4-(benzyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl 7-methyl-3-oxo-2-{[4-(phenylmethoxy)phenyl]methylene}-5-(2-thienyl)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
519009-22-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28775.16
ACD/KOC (pH 5.5): 54119.00
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28775.16
ACD/KOC (pH 7.4): 54119.00
Polar Surface Area: 122 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 421.7±7.0 cm3

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