3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0088 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 553.7 |
| Molecular Formula: | C30 H27 N5 O2 S2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1=C(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3401 |
| logD: | 4.29 |
| logSw: | -4.2621 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.776 |
| InChI Key: | XHYQFYDCOOZGMJ-UHFFFAOYSA-N |