3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0744 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCc3ccc(cc3)OC)N=C3C=CC(C)=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8354 |
| logD: | 3.8351 |
| logSw: | -4.1321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.825 |
| InChI Key: | VYTGRRSHBWQMPG-INIZCTEOSA-N |