ethyl (1-{9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Chemical Structure Depiction of
ethyl (1-{9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
ethyl (1-{9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Compound characteristics
| Compound ID: | 4618-0449 |
| Compound Name: | ethyl (1-{9-methyl-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C22 H23 N5 O5 S2 |
| Smiles: | CCOC(CC1C(NCCN1C1=C(/C=C2/C(N(C)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8248 |
| logD: | 0.8248 |
| logSw: | -1.7389 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.003 |
| InChI Key: | AEEGGWHJRRPFNW-AWEZNQCLSA-N |