3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-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-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0039 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C25 H25 N5 O3 S2 |
| Smiles: | C1CN(CCN1CCO)C1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3836 |
| logD: | 2.3053 |
| logSw: | -2.4209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.682 |
| InChI Key: | OCOHRLCGGJNHKZ-UHFFFAOYSA-N |