2-{[(furan-2-yl)methyl]amino}-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(furan-2-yl)methyl]amino}-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(furan-2-yl)methyl]amino}-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0970 |
| Compound Name: | 2-{[(furan-2-yl)methyl]amino}-7-methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-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(Cc4ccc(C)cc4)C(=S)S3)=O)C(N2C=1)=O)NCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 4.4587 |
| logD: | 4.455 |
| logSw: | -4.283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.453 |
| InChI Key: | OMSHVGVQYGMWAY-UHFFFAOYSA-N |