3-[(Z)-(3-butyl-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-butyl-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-butyl-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: | 4578-0054 |
| Compound Name: | 3-[(Z)-(3-butyl-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: | 472.63 |
| Molecular Formula: | C23 H28 N4 O3 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CC(C)OC(C)C2)SC1=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2268 |
| logD: | 3.2268 |
| logSw: | -3.2363 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.439 |
| InChI Key: | HIHHQDKHAWBOLQ-UHFFFAOYSA-N |