2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0453 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | CC(c1ccccc1)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)CCO)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8717 |
| logD: | 2.7934 |
| logSw: | -2.921 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.043 |
| InChI Key: | FIPNOCXUXRPFGK-IBGZPJMESA-N |