2-[4-(2-hydroxyethyl)piperazin-1-yl]-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-(2-hydroxyethyl)piperazin-1-yl]-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-(2-hydroxyethyl)piperazin-1-yl]-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: | 3541-1219 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]-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: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)CCO)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4897 |
| logD: | 1.4115 |
| logSw: | -1.804 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.674 |
| InChI Key: | GYSFGYBUUFEFFR-UHFFFAOYSA-N |