3-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0055 |
| Compound Name: | 3-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | CC1CN(CC(C)O1)C1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5652 |
| logD: | 3.5652 |
| logSw: | -3.6931 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.189 |
| InChI Key: | FGEHNEFXVJIBEO-UHFFFAOYSA-N |