3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperazin-1-yl)-9-methyl-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)-9-methyl-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)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4618-0183 |
| Compound Name: | 3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 567.73 |
| Molecular Formula: | C31 H29 N5 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccccc3)C(=S)S1)=O)C2=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6105 |
| logD: | 4.5604 |
| logSw: | -4.3214 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 47.797 |
| InChI Key: | LKPPCKDFBQBUBN-UHFFFAOYSA-N |