2-(4-benzylpiperidin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperidin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0459 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-7-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 518.7 |
| Molecular Formula: | C28 H30 N4 O2 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCC(CC2)Cc2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.405 |
| logD: | 5.405 |
| logSw: | -5.4538 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.475 |
| InChI Key: | GACRVTBNUZLVRC-UHFFFAOYSA-N |