4-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Chemical Structure Depiction of
4-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Compound characteristics
| Compound ID: | 4578-0063 |
| Compound Name: | 4-[(5Z)-5-{[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C23 H26 N4 O5 S2 |
| Smiles: | CC1CN(CC(C)O1)C1=C(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1688 |
| logD: | -1.6448 |
| logSw: | -1.7243 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.823 |
| InChI Key: | CJAJITXNFYZALM-UHFFFAOYSA-N |