2-(4-methylpiperazin-1-yl)-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-methylpiperazin-1-yl)-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-methylpiperazin-1-yl)-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: | 2556-1427 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-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: | 471.6 |
| Molecular Formula: | C22 H25 N5 O3 S2 |
| Smiles: | CN1CCN(CC1)C1=C(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2846 |
| logD: | 0.9446 |
| logSw: | -1.7267 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 57.367 |
| InChI Key: | CFAAUHQWKIDXQI-OAHLLOKOSA-N |