3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0686 |
| Compound Name: | 3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C26 H22 N4 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccco4)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9615 |
| logD: | 3.959 |
| logSw: | -4.0302 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.453 |
| InChI Key: | DSDHWWKYAQAIQC-UHFFFAOYSA-N |