2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0762 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C25 H18 N4 O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC1=C(/C=C2/C(N(Cc3ccco3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.147 |
| logD: | 3.1469 |
| logSw: | -3.3203 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.05 |
| InChI Key: | SYFJVUZMEAGZGG-UHFFFAOYSA-N |