9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0116 |
| Compound Name: | 9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | CC(c1ccccc1)N1C(/C(=C/C2=C(NCC3CCCO3)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2892 |
| logD: | 3.2887 |
| logSw: | -3.5206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.201 |
| InChI Key: | NVDODKFVVMUOFE-UHFFFAOYSA-N |