6-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Chemical Structure Depiction of
6-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
6-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4578-0048 |
| Compound Name: | 6-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C24 H29 N5 O5 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)CCO)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9972 |
| logD: | -1.8309 |
| logSw: | -1.7402 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.316 |
| InChI Key: | UYTDRPMHIGAZTI-UHFFFAOYSA-N |