2-(4-benzylpiperidin-1-yl)-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperidin-1-yl)-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0319 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C24 H22 N4 O2 S2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C1=C(/C=C2/C(NC(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2526 |
| logD: | -1.6384 |
| logSw: | -3.4829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.422 |
| InChI Key: | ROMDWOPHLBUDBK-UHFFFAOYSA-N |