2-(4-benzylpiperazin-1-yl)-7-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-7-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-(4-benzylpiperazin-1-yl)-7-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0347 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-7-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 561.73 |
| Molecular Formula: | C29 H31 N5 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC4CCCO4)C(=S)S3)=O)C(N2C=1)=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0871 |
| logD: | 3.037 |
| logSw: | -3.0873 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 57.95 |
| InChI Key: | KBSGVGTYVCVDAO-JOCHJYFZSA-N |