ethyl (1-{3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Chemical Structure Depiction of
ethyl (1-{3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
ethyl (1-{3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Compound characteristics
| Compound ID: | 5756-0111 |
| Compound Name: | ethyl (1-{3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C23 H25 N5 O5 S2 |
| Smiles: | CCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCNC(C2CC(=O)OCC)=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4584 |
| logD: | 1.4584 |
| logSw: | -1.8626 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.962 |
| InChI Key: | AMZFJNMGTHMAMT-HNNXBMFYSA-N |