3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0642 |
| Compound Name: | 3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(CNC2=C(/C=C3/C(N(CCOC)C(=S)S3)=O)C(N3C=CC=CC3=N2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.6203 |
| logSw: | -2.9396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.778 |
| InChI Key: | WOZWHPXUKZNETI-UHFFFAOYSA-N |