Found 226 results

Search term: MF = 'C_{26}H_{24}N_{4}O_{5}S_{2}'
ChemSpider 2D Image | MFCD03212817 | C26H24N4O5S2

MFCD03212817

  • Molecular FormulaC26H24N4O5S2
  • Average mass536.623 Da
  • Monoisotopic mass536.118835 Da
  • ChemSpider ID4829694

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(1,3-Benzodioxol-5-ylmethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-[(1,3-Benzodioxol-5-ylméthyl)amino]-9-méthyl-3-{(Z)-[4-oxo-3-(tétrahydro-2-furanylméthyl)-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-9-methyl-3-[(Z)-[4-oxo-3-[(tetrahydro-2-furanyl)methyl]-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
MFCD03212817
(5Z)-5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
2-[(1,3-benzodioxol-5-ylmethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
5-({2-[(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]-9-methyl-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-3-(oxolan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-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: 617.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.754
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.31
ACD/KOC (pH 5.5): 115.02
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 115.03
Polar Surface Area: 150 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 346.8±7.0 cm3

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