3-[(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]propanoic acid
Chemical Structure Depiction of
3-[(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]propanoic acid
3-[(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]propanoic acid
Compound characteristics
| Compound ID: | 4578-0062 |
| Compound Name: | 3-[(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]propanoic acid |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CC1CN(CC(C)O1)C1=C(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8158 |
| logD: | -1.7167 |
| logSw: | -1.3161 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.823 |
| InChI Key: | LTYNPCKLJDQZGU-UHFFFAOYSA-N |