2-[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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: | 4618-0009 |
| Compound Name: | 2-[4-(2-hydroxyethyl)piperazin-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: | 501.63 |
| Molecular Formula: | C23 H27 N5 O4 S2 |
| Smiles: | C1CC(CN2C(/C(=C\C3=C(N=C4C=CC=CN4C3=O)N3CCN(CC3)CCO)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8263 |
| logD: | 0.7481 |
| logSw: | -1.2622 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.336 |
| InChI Key: | DKNZUNQWWRARKV-MRXNPFEDSA-N |