3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methoxyphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methoxyphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methoxyphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0689 |
| Compound Name: | 3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-{[(4-methoxyphenyl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | CCN1C(/C(=C/C2=C(NCc3ccc(cc3)OC)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6608 |
| logD: | 2.6605 |
| logSw: | -2.9169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.725 |
| InChI Key: | LKMYWUNPFOKWHX-UHFFFAOYSA-N |