2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0745 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C21 H16 N4 O4 S2 |
| Smiles: | CN1C(/C(=C/C2=C(NCc3ccc4c(c3)OCO4)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.958 |
| logD: | 1.9579 |
| logSw: | -2.7106 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.338 |
| InChI Key: | OSQMFIHRTGFTIV-UHFFFAOYSA-N |