3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[(4-methylphenyl)methyl]amino}-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}-9-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0668 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[(4-methylphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 478.63 |
| Molecular Formula: | C25 H26 N4 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCc3ccc(C)cc3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2426 |
| logD: | 4.2342 |
| logSw: | -4.165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.783 |
| InChI Key: | JZPCUWPKMREXAB-KRWDZBQOSA-N |