2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{[4-oxo-3-(2-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]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0041 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C26 H27 N5 O3 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)CCO)SC1=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4827 |
| logD: | 2.4044 |
| logSw: | -2.3732 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.66 |
| InChI Key: | LASMYIXGMIDWCG-UHFFFAOYSA-N |