3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0107 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(ethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | CCNC1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9366 |
| logD: | 2.9365 |
| logSw: | -3.3031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.083 |
| InChI Key: | AFPVIZYHBLNPKV-UHFFFAOYSA-N |