2-(4-methylpiperidin-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-methylpiperidin-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-methylpiperidin-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: | 4428-0325 |
| Compound Name: | 2-(4-methylpiperidin-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: | 470.61 |
| Molecular Formula: | C23 H26 N4 O3 S2 |
| Smiles: | CC1CCN(CC1)C1=C(\C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7969 |
| logD: | 2.7969 |
| logSw: | -3.0585 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.89 |
| InChI Key: | ANMXAIKGHWJNJF-MRXNPFEDSA-N |